UCSF

ZINC44895882

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 1.61 8.66 -13.78 1 5 0 70 255.306 3
Hi High (pH 8-9.5) 1.61 8.46 -50.13 0 5 -1 68 254.298 3

Activity (Go SEA)

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