UCSF

ZINC42375778

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 1.11 7.57 -40.35 1 4 1 44 226.296 7
Mid Mid (pH 6-8) 1.11 5.2 -6.23 0 4 0 43 225.288 7

Activity (Go SEA)

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