UCSF

ZINC08441699

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 42 No

Other Names:

MFCD04088590

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) 7.73 0.63 -16.24 1 7 0 92 572.642 6
Mid Mid (pH 6-8) 7.14 0.47 -18.68 0 7 0 89 572.642 6

Activity (Go SEA)

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