UCSF

ZINC36780223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.53 -0.44 -11.72 4 5 0 80 194.238 4
Mid Mid (pH 6-8) 0.53 0.03 -31.92 5 5 1 81 195.246 4

Activity (Go SEA)

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