UCSF

ZINC45620026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 2.42 2.93 -3.69 1 2 0 23 227.27 8
Mid Mid (pH 6-8) 2.42 4.94 -37.97 2 2 1 25 228.278 8

Activity (Go SEA)

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