UCSF

ZINC25388677

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 5.21 8.6 -19.95 2 5 0 71 395.528 4
Mid Mid (pH 6-8) 5.21 8.98 -46.04 3 5 1 72 396.536 4

Activity (Go SEA)

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