UCSF

ZINC35411303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 14 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) 1.26 4.11 -42.24 3 2 1 41 272.191 2
Mid Mid (pH 6-8) 1.26 3.8 -4.02 2 2 0 39 271.183 2

Activity (Go SEA)

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