UCSF

ZINC42205306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 1.34 0.53 -42.14 1 4 -1 68 228.293 5
Lo Low (pH 4.5-6) 1.34 0.46 -9.99 2 4 0 66 229.301 5

Activity (Go SEA)

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