UCSF

ZINC44517899

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 2.48 5.12 -107.97 4 5 2 60 294.395 5
Hi High (pH 8-9.5) 2.48 5.78 -77.04 3 5 1 63 293.387 5

Activity (Go SEA)

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