UCSF

ZINC05139984

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 20 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) 0.76 5.15 -13 3 8 0 116 279.3 6
Lo Low (pH 4.5-6) 0.76 0.99 -34.36 4 8 1 117 280.308 6
Lo Low (pH 4.5-6) 0.76 5.4 -39.66 4 8 1 117 280.308 6

Activity (Go SEA)

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