UCSF

ZINC44886088

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) -0.07 0.83 -46.73 2 9 -1 128 304.315 3
Hi High (pH 8-9.5) 0.39 -1.11 -81.88 1 9 -2 131 303.307 3
Lo Low (pH 4.5-6) -0.07 1.08 -18.72 3 9 0 129 305.323 3

Activity (Go SEA)

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