UCSF

ZINC49399626

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.70 0.97 -49.99 4 7 1 94 254.314 6
Hi High (pH 8-9.5) -0.70 -1.48 -23.09 3 7 0 93 253.306 6

Activity (Go SEA)

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