UCSF

ZINC34590091

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 1.86 12.44 -105.28 1 6 0 70 375.856 2
Mid Mid (pH 6-8) 1.86 10.06 -65.33 0 6 -1 69 374.848 2
Lo Low (pH 4.5-6) -0.88 9.55 -78.95 2 6 1 73 376.864 1

Activity (Go SEA)

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