UCSF

ZINC34960896

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 0.11 4.88 -46.02 3 3 1 53 256.354 3
Mid Mid (pH 6-8) 0.11 4.45 -8.91 2 3 0 52 255.346 3

Activity (Go SEA)

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