UCSF

ZINC43424977

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.15 3.21 -51.42 3 4 1 53 330.246 3
Lo Low (pH 4.5-6) 2.15 5.08 -132.85 4 4 2 54 331.254 3

Activity (Go SEA)

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