UCSF

ZINC42105330

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) 1.47 8.95 -14.11 0 5 0 57 269.304 4
Mid Mid (pH 6-8) 1.47 9.46 -46.92 1 5 1 58 270.312 4

Activity (Go SEA)

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