UCSF

ZINC48229843

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 17 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) 1.58 1.72 -53.23 1 4 -1 65 245.18 4
Lo Low (pH 4.5-6) 1.12 2.28 -8.57 2 4 0 62 246.188 4

Activity (Go SEA)

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