UCSF

ZINC31257109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 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) 1.96 2.95 -15.67 2 5 0 75 234.255 3
Mid Mid (pH 6-8) 2.41 1.21 -57.07 1 5 -1 78 233.247 3

Activity (Go SEA)

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