UCSF

ZINC06361536

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 22 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) -5.09 -14.21 -191.46 14 10 3 203 326.37 3
Hi High (pH 8-9.5) -5.09 -15.29 -11.4 11 10 0 198 323.346 3
Hi High (pH 8-9.5) -5.09 -14.99 -48.38 12 10 1 199 324.354 3
Hi High (pH 8-9.5) -5.09 -15.01 -44.34 12 10 1 199 324.354 3
Mid Mid (pH 6-8) -5.09 -14.67 -111.72 13 10 2 201 325.362 3

Activity (Go SEA)

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