UCSF

ZINC37981854

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 1.73 6.09 -14.89 1 5 0 56 261.325 6
Mid Mid (pH 6-8) 1.73 6.59 -31.71 2 5 1 57 262.333 6
Mid Mid (pH 6-8) 1.73 7.25 -46.52 2 5 1 61 262.333 6
Lo Low (pH 4.5-6) 1.73 7.75 -108.35 3 5 2 62 263.341 6

Activity (Go SEA)

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