UCSF

ZINC18120050

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 13 No

Popular Name: menadiol menadiol

Find On: PubMed — Wikipedia — Google

CAS Number: 481-85-6

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 1.9 -6.2 2 2 0 40 174.199 0 ↓
Ref Reference (pH 7) 1.81 5.81 -6.41 0 2 0 34 174.199 0 ↓
Ref Reference (pH 7) 1.81 5.69 -6.59 0 2 0 34 174.199 0 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links APPB_ECOLI; APPC_ECOLI; YGIN_ECO57; YGIN_ECOLI; YGIN_SHIFL; YQJG_ECOLI ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )