UCSF

ZINC34534590

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 Yes

Other Names:

MFCD08458513

QB-0298

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) 1.36 4.91 -48.1 3 3 1 54 194.254 5
Mid Mid (pH 6-8) 1.36 4.57 -6.49 2 3 0 52 193.246 5

Activity (Go SEA)

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