UCSF

ZINC34610483

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) -0.99 5.52 -59.71 3 5 -1 108 242.295 6
Hi High (pH 8-9.5) -0.99 5.2 -99.49 2 5 -2 106 241.287 6
Lo Low (pH 4.5-6) -0.99 3.54 -34.93 4 5 0 105 243.303 6

Activity (Go SEA)

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