UCSF

ZINC23283237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 24 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) 4.80 10.9 -48.97 2 2 1 20 343.922 7
Mid Mid (pH 6-8) 4.80 12.05 -39.99 2 2 1 16 343.922 7
Lo Low (pH 4.5-6) 4.80 13.25 -123.13 3 2 2 21 344.93 7

Activity (Go SEA)

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