UCSF

ZINC21919310

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 27 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 7.44 -16.24 1 5 0 58 391.443 6
Mid Mid (pH 6-8) 3.32 9.02 -75.4 2 5 1 59 392.451 6

Activity (Go SEA)

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