UCSF

ZINC40175217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) 1.53 6.73 -46.8 2 3 1 33 246.309 1
Hi High (pH 8-9.5) 1.53 5.42 -6.43 1 3 0 28 245.301 1
Lo Low (pH 4.5-6) 1.53 7.03 -97.85 3 3 2 34 247.317 1

Activity (Go SEA)

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