UCSF

ZINC05409245

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 21 No

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) 0.90 3.19 -61.13 1 5 -1 82 279.275 3
Mid Mid (pH 6-8) 1.34 -2.96 -18.84 2 5 0 79 280.283 2
Lo Low (pH 4.5-6) 1.34 -2.47 -43.6 3 5 1 80 281.291 2

Activity (Go SEA)

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