UCSF

ZINC21802310

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 5.39 10.51 -42.5 2 1 1 17 315.651 4
Mid Mid (pH 6-8) 5.39 9.26 -3.53 1 1 0 12 314.643 4

Activity (Go SEA)

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