UCSF

ZINC13650200

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 Yes

CAS Number: 58944-73-3

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) -3.89 -2.91 -106.12 10 12 1 215 382.401 7
Lo Low (pH 4.5-6) -3.89 -2.65 -145.27 11 12 2 216 383.409 7
Lo Low (pH 4.5-6) -3.89 -7.03 -145.24 11 12 2 216 383.409 7

Activity (Go SEA)

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