UCSF

ZINC34567546

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 1.13 3.53 -42.19 3 2 1 29 175.255 0
Hi High (pH 8-9.5) 1.13 2.12 -2.57 2 2 0 24 174.247 0

Activity (Go SEA)

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