UCSF

ZINC15779557

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 28 Yes

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) 3.24 9.29 -38.95 1 6 1 46 382.532 6
Mid Mid (pH 6-8) 3.24 6.92 -7.73 0 6 0 45 381.524 6

Activity (Go SEA)

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