UCSF

ZINC63055166

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2011 14 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 1.68 -53.46 4 3 1 57 197.233 3
Hi High (pH 8-9.5) 0.48 1.3 -8.48 3 3 0 55 196.225 3

Activity (Go SEA)

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