UCSF

ZINC40934443

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 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) 3.79 11.57 -12.42 0 7 0 74 427.497 8
Mid Mid (pH 6-8) 3.79 13.09 -55.99 1 7 1 76 428.505 8

Activity (Go SEA)

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