UCSF

ZINC42614751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 18 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) 1.71 5.18 -84.88 4 3 2 35 255.45 4
Mid Mid (pH 6-8) 1.71 4.71 -111.09 4 3 2 35 255.45 4

Activity (Go SEA)

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