UCSF

ZINC22750222

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 2.06 7.42 -14.72 1 6 0 81 349.39 7
Mid Mid (pH 6-8) 2.13 5.81 -48.46 2 6 1 86 350.398 7
Lo Low (pH 4.5-6) 2.13 6.27 -96.64 3 6 2 88 351.406 7
Lo Low (pH 4.5-6) 2.06 7.84 -51.83 2 6 1 82 350.398 7

Activity (Go SEA)

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