UCSF

ZINC31903890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 27 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) 3.56 9.17 -16.58 1 6 0 73 387.505 10
Mid Mid (pH 6-8) 3.56 9.65 -44.5 2 6 1 74 388.513 10

Activity (Go SEA)

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