UCSF

ZINC08818325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 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) 3.01 9.68 -61.5 0 7 -1 92 457.506 8
Mid Mid (pH 6-8) 3.46 9.41 -18.57 1 7 0 89 458.514 7
Lo Low (pH 4.5-6) 3.01 10.75 -46.74 2 7 1 90 459.522 8
Lo Low (pH 4.5-6) 2.43 11.11 -50.83 1 7 1 87 459.522 8

Activity (Go SEA)

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