UCSF

ZINC06728404

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 28 No

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) 1.45 3.06 -61.81 2 7 -1 110 382.392 6
Mid Mid (pH 6-8) 1.89 -4.46 -29.17 3 7 0 107 383.4 5
Mid Mid (pH 6-8) 0.86 -4.23 -23.45 2 7 0 104 383.4 6

Activity (Go SEA)

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