UCSF

ZINC42467649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.93 6.91 -27.13 3 3 1 43 246.359 4
Mid Mid (pH 6-8) 1.93 6.44 -6.59 2 3 0 42 245.351 4

Activity (Go SEA)

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