UCSF

ZINC37821687

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.78 6.92 -43.15 3 4 1 51 276.404 3
Mid Mid (pH 6-8) 1.78 5.04 -8.3 2 4 0 50 275.396 3

Activity (Go SEA)

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