UCSF

ZINC42953642

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.50 6.14 -96.4 4 3 2 35 342.325 4
Mid Mid (pH 6-8) 2.50 3.93 -44.39 3 3 1 34 341.317 4

Activity (Go SEA)

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