UCSF

ZINC29477040

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 14 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) 2.23 5.96 -48.05 0 3 -1 53 192.238 3
Mid Mid (pH 6-8) 2.23 6.12 -42.17 1 3 0 54 193.246 3

Activity (Go SEA)

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