UCSF

ZINC27745734

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 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) 0.31 9.1 -92.41 1 7 0 83 358.373 3
Mid Mid (pH 6-8) 0.31 6.63 -61.16 0 7 -1 82 357.365 3
Lo Low (pH 4.5-6) -3.28 8.15 -69.7 2 7 1 86 359.381 2

Activity (Go SEA)

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