UCSF

ZINC43445598

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 0.29 1.48 -44.84 3 3 1 50 201.315 6
Hi High (pH 8-9.5) 0.29 0.13 -6.21 2 3 0 45 200.307 6

Activity (Go SEA)

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