UCSF

ZINC34537780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 0.41 1.78 -31.86 2 3 1 20 184.307 2
Hi High (pH 8-9.5) 0.41 -0.38 -1.82 1 3 0 19 183.299 2
Hi High (pH 8-9.5) 0.41 0.91 -35.9 2 3 1 23 184.307 2
Mid Mid (pH 6-8) 0.41 4.16 -94.09 3 3 2 21 185.315 2

Activity (Go SEA)

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