UCSF

ZINC54825089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 12 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) 0.85 0.67 -8.06 2 3 0 56 168.24 3
Mid Mid (pH 6-8) 0.85 1.88 -36.31 3 3 1 61 169.248 3

Activity (Go SEA)

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