UCSF

ZINC43455000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.83 6.85 -38.15 2 2 1 20 239.427 7
Lo Low (pH 4.5-6) 3.83 9.34 -105.96 3 2 2 21 240.435 7

Activity (Go SEA)

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