UCSF

ZINC17376090

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 20 Yes

CAS Number: 3868-33-5

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) -1.05 -5.88 -22.06 7 10 0 166 282.26 2
Lo Low (pH 4.5-6) -2.31 -4.98 -87.67 9 10 2 169 284.276 2
Lo Low (pH 4.5-6) -2.31 -9.35 -89.95 9 10 2 169 284.276 2
Lo Low (pH 4.5-6) -1.05 -5.41 -44.53 8 10 1 167 283.268 2

Activity (Go SEA)

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