UCSF

ZINC21794251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.18 8.96 -37.26 3 6 1 71 354.478 6
Mid Mid (pH 6-8) 4.18 8.79 -35.01 3 6 1 71 354.478 6
Mid Mid (pH 6-8) 4.18 8.52 -12.61 2 6 0 70 353.47 6

Activity (Go SEA)

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