UCSF

ZINC43285451

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 18 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) 0.68 2.99 -49.2 3 4 1 51 335.291 5
Hi High (pH 8-9.5) 0.68 2.63 -7.12 2 4 0 50 334.283 5
Lo Low (pH 4.5-6) 0.68 5.26 -115.98 4 4 2 52 336.299 5

Activity (Go SEA)

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