UCSF

ZINC33121030

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 35 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) 3.22 9.64 -52.9 3 7 1 86 493.653 8
Hi High (pH 8-9.5) 3.22 8.22 -15.19 2 7 0 82 492.645 8
Hi High (pH 8-9.5) 3.22 9.71 -71.33 2 7 0 88 492.645 8

Activity (Go SEA)

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