UCSF

ZINC34938062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 2.92 7.77 -129.48 4 2 2 32 268.47 8
Mid Mid (pH 6-8) 2.92 5.45 -46.43 3 2 1 31 267.462 8
Mid Mid (pH 6-8) 2.92 7.38 -31.82 3 2 1 30 267.462 8

Activity (Go SEA)

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