UCSF

ZINC42278846

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 1.88 3.34 -42.66 3 2 1 31 225.381 3
Hi High (pH 8-9.5) 1.88 3.3 -2.14 2 2 0 29 224.373 3
Mid Mid (pH 6-8) 1.88 6.11 -26.94 3 2 1 30 225.381 3
Lo Low (pH 4.5-6) 1.88 5.79 -112.85 4 2 2 32 226.389 3

Activity (Go SEA)

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