UCSF

ZINC36997095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.49 8 -32.68 2 3 1 30 263.405 3
Mid Mid (pH 6-8) 2.49 6.77 -35.83 2 3 1 33 263.405 3
Lo Low (pH 4.5-6) 2.49 9.02 -108.66 3 3 2 34 264.413 3

Activity (Go SEA)

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