UCSF

ZINC05998752

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 25 Yes

Popular Name: Pachypodol Pachypodol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33708-72-4 , [33708-72-4]

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) 2.80 3.8 -9.81 2 7 0 98 344.319 4 ↓
Hi High (pH 8-9.5) 2.80 4.54 -57.22 1 7 -1 101 343.311 4 ↓

Activity (Go SEA)

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