UCSF

ZINC06015111

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 25 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) 2.26 7.38 -63.08 0 5 -1 73 335.383 5
Mid Mid (pH 6-8) 2.71 -0.14 -20.74 1 5 0 70 336.391 4
Lo Low (pH 4.5-6) 2.71 -0.02 -55.1 2 5 1 71 337.399 4

Activity (Go SEA)

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