UCSF

ZINC09763887

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 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) 2.49 7.59 -67.86 0 7 -1 96 375.36 5
Mid Mid (pH 6-8) 1.91 0.5 -16.11 0 7 0 89 376.368 5
Mid Mid (pH 6-8) 2.49 8.01 -55.73 1 7 0 97 376.368 5
Lo Low (pH 4.5-6) 2.49 0.89 -39.63 2 7 1 94 377.376 5
Lo Low (pH 4.5-6) 1.91 0.72 -46.57 1 7 1 90 377.376 5

Activity (Go SEA)

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