UCSF

ZINC21787808

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.97 7.7 -2.58 1 2 0 15 300.471 6
Mid Mid (pH 6-8) 3.97 8.77 -36.3 2 2 1 20 301.479 6
Lo Low (pH 4.5-6) 3.97 10.88 -115.45 3 2 2 21 302.487 6

Activity (Go SEA)

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