UCSF

ZINC33381843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 35 Yes

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) 7.76 17.71 -29.05 2 5 1 57 476.685 10
Mid Mid (pH 6-8) 7.76 17.39 -17.61 1 5 0 56 475.677 10
Mid Mid (pH 6-8) 7.76 17.94 -45.35 2 5 1 60 476.685 10
Lo Low (pH 4.5-6) 7.76 18.26 -97.92 3 5 2 61 477.693 10

Activity (Go SEA)

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