UCSF

ZINC31255504

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 16 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) 1.77 2.38 -16.31 2 5 0 75 220.228 3
Mid Mid (pH 6-8) 2.23 0.63 -57.28 1 5 -1 78 219.22 3

Activity (Go SEA)

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