UCSF

ZINC15779352

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 26 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) 2.38 8 -40.24 1 6 1 46 354.478 4
Mid Mid (pH 6-8) 2.38 5.53 -8.4 0 6 0 45 353.47 4

Activity (Go SEA)

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