UCSF

ZINC12383963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 23 Yes

Other Names:

MFCD04088714

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) 3.39 7.85 -14.33 1 4 0 47 310.397 7
Mid Mid (pH 6-8) 3.39 8.65 -29.14 2 4 1 49 311.405 7

Activity (Go SEA)

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