UCSF

ZINC20873034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 17 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) 0.39 0.03 -38.93 5 5 1 89 304.164 7
Hi High (pH 8-9.5) 0.39 -1.47 -15.91 4 5 0 85 303.156 7

Activity (Go SEA)

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