UCSF

ZINC23283585

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 3.32 7.61 -34.7 1 3 1 17 330.29 8
Hi High (pH 8-9.5) 3.32 5.43 -2.77 0 3 0 16 329.282 8
Mid Mid (pH 6-8) 3.32 7.53 -34 1 3 1 17 330.29 8
Lo Low (pH 4.5-6) 3.32 9.9 -107.73 2 3 2 18 331.298 8

Activity (Go SEA)

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