UCSF

ZINC40748113

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 2.05 5.89 -88.47 3 3 2 24 255.45 7
Hi High (pH 8-9.5) 2.05 3.72 -35.22 2 3 1 23 254.442 7
Lo Low (pH 4.5-6) 2.05 7.92 -196.45 4 3 3 25 256.458 7

Activity (Go SEA)

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