UCSF

ZINC08836077

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 31 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) 0.34 4.84 -57.08 0 8 -1 99 441.533 7
Mid Mid (pH 6-8) -0.24 -2.99 -53.72 1 8 1 93 443.549 7
Mid Mid (pH 6-8) 0.34 7.17 -75.65 1 8 0 100 442.541 7
Lo Low (pH 4.5-6) -0.24 -2.87 -106.56 2 8 2 95 444.557 7

Activity (Go SEA)

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