UCSF

ZINC36888247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) -0.48 -0.44 -50.83 4 5 1 87 256.232 3
Mid Mid (pH 6-8) -0.48 -0.58 -9.5 3 5 0 85 255.224 3

Activity (Go SEA)

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