UCSF

ZINC35390811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -0.63 0.68 -54.85 2 7 -1 119 307.373 5
Mid Mid (pH 6-8) -0.17 -1.7 -99.05 1 7 -2 122 306.365 5

Activity (Go SEA)

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