UCSF

ZINC42453205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.47 5.58 -36.51 4 5 1 81 236.343 6
Mid Mid (pH 6-8) 1.47 6.22 -80.33 5 5 2 82 237.351 6

Activity (Go SEA)

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