UCSF

ZINC08382362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2006 30 No

CAS Number: 77-60-1

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) 6.12 10.29 -3.69 1 3 0 39 416.646 0

Vendor Notes

Note Type Comments Provided By
Target Cytochrome P450 11B1, mitochondrial(P15538) Herbal Ingredients Targets

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.