UCSF

ZINC20102286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 31 No

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) 5.26 12.87 -47.28 1 5 -1 64 428.537 5
Mid Mid (pH 6-8) 4.54 13.28 -16.48 2 5 0 67 429.545 5

Activity (Go SEA)

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