UCSF

ZINC21514657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 20 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) 3.65 7.33 -32.67 2 3 1 29 279.448 9
Mid Mid (pH 6-8) 3.65 7.95 -35.42 2 3 1 26 279.448 9
Lo Low (pH 4.5-6) 3.65 9.42 -114.41 3 3 2 30 280.456 9

Activity (Go SEA)

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