UCSF

ZINC05936094

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 23 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) 1.27 7.6 -29.98 2 6 0 84 312.373 6
Lo Low (pH 4.5-6) 1.27 7.38 -42.44 3 6 1 85 313.381 6
Lo Low (pH 4.5-6) 1.27 7.16 -70.42 4 6 2 86 314.389 6

Activity (Go SEA)

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