UCSF

ZINC09308769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 38 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) 4.04 10.45 -41.71 1 7 -1 103 505.55 8
Mid Mid (pH 6-8) 4.48 8.95 -29.78 2 7 0 100 506.558 7
Mid Mid (pH 6-8) 3.45 -2.14 -26.29 1 7 0 96 506.558 8
Lo Low (pH 4.5-6) 3.45 -2.03 -55.65 2 7 1 98 507.566 8
Lo Low (pH 4.5-6) 4.04 9.76 -54.66 3 7 1 101 507.566 8

Activity (Go SEA)

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