UCSF

ZINC34574773

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 3.02 3.16 -13.07 2 5 0 76 286.283 1
Mid Mid (pH 6-8) 3.02 3.94 -51.75 1 5 -1 79 285.275 1

Activity (Go SEA)

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