UCSF

ZINC00507086

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 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) 1.33 2.72 -8.86 2 4 0 62 175.191 1
Hi High (pH 8-9.5) 1.33 3.5 -46.79 1 4 -1 65 174.183 1
Mid Mid (pH 6-8) 1.33 3.42 -52.81 1 4 -1 65 174.183 1

Activity (Go SEA)

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