UCSF

ZINC35346454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 19 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) 2.27 8.53 -39.21 2 3 1 43 280.413 5
Mid Mid (pH 6-8) 2.27 7.47 -7.66 1 3 0 38 279.405 5

Activity (Go SEA)

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