UCSF

ZINC41234301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 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) 1.92 4.33 -3.96 0 3 0 16 220.316 4
Mid Mid (pH 6-8) 1.92 6.6 -38.95 1 3 1 17 221.324 4

Activity (Go SEA)

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