UCSF

ZINC31903416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 5.95 16.51 -43.68 1 4 1 31 420.621 9
Mid Mid (pH 6-8) 5.95 14.3 -9.5 0 4 0 30 419.613 9

Activity (Go SEA)

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