UCSF

ZINC20189071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.67 5.49 -34.42 3 3 1 37 263.405 4
Hi High (pH 8-9.5) 2.67 4.96 -62.06 2 3 0 43 262.397 4
Mid Mid (pH 6-8) 2.67 4.17 -41.49 3 3 1 40 263.405 4
Lo Low (pH 4.5-6) 2.67 6.44 -107.63 4 3 2 41 264.413 4

Activity (Go SEA)

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