UCSF

ZINC44132146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 0.77 0.4 -6.19 1 5 0 51 271.357 1
Mid Mid (pH 6-8) 0.77 2.54 -31.14 2 5 1 52 272.365 1

Activity (Go SEA)

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