UCSF

ZINC09244107

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 29 No

Other Names:

MFCD04028831

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) 0.23 1.22 -77.41 2 9 -1 133 402.379 9
Mid Mid (pH 6-8) -0.35 2.15 -18.61 2 9 0 127 403.387 9
Mid Mid (pH 6-8) 0.23 1.62 -18.67 3 9 0 130 403.387 9

Activity (Go SEA)

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