UCSF

ZINC33731517

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 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) 3.30 8.5 -51.59 0 8 -1 92 475.569 4
Mid Mid (pH 6-8) 2.84 10.93 -9.82 1 8 0 89 476.577 4

Activity (Go SEA)

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