UCSF

ZINC44532564

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 15 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 4.19 -34.78 2 3 1 29 226.369 4
Mid Mid (pH 6-8) 1.47 5.42 -97.53 3 3 2 34 227.377 4

Activity (Go SEA)

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