UCSF

ZINC44448559

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 16 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) 1.92 4.04 -8.1 0 3 0 24 238.253 4
Lo Low (pH 4.5-6) 1.92 6.11 -46.35 1 3 1 25 239.261 4

Activity (Go SEA)

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