UCSF

ZINC09271570

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 1.86 5.84 -63.63 0 9 -1 108 476.509 8
Mid Mid (pH 6-8) 2.31 8.12 -43.37 2 9 1 107 478.525 7
Mid Mid (pH 6-8) 1.86 8.17 -77.44 1 9 0 109 477.517 8
Lo Low (pH 4.5-6) 2.31 8.41 -109.77 3 9 2 108 479.533 7

Activity (Go SEA)

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