UCSF

ZINC40312940

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 25 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) 3.14 8.53 -39.93 2 5 1 60 342.415 9
Mid Mid (pH 6-8) 3.14 5.93 -8.27 1 5 0 59 341.407 9

Activity (Go SEA)

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