UCSF

ZINC43078472

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 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) 2.63 7.34 -35.38 2 3 1 29 231.319 4
Hi High (pH 8-9.5) 2.63 4.83 -7.8 1 3 0 28 230.311 4

Activity (Go SEA)

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