UCSF

ZINC34973449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.05 7.67 -56.82 3 1 1 28 276.331 2
Mid Mid (pH 6-8) 4.05 7.34 -5.53 2 1 0 26 275.323 2

Activity (Go SEA)

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