UCSF

ZINC35733695

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) 2.01 3.34 -50.09 4 3 1 57 211.329 3
Mid Mid (pH 6-8) 2.01 3.39 -7.05 3 3 0 55 210.321 3

Activity (Go SEA)

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