UCSF

ZINC09266407

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 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) 3.77 13.08 -55.65 1 6 1 55 436.555 3
Mid Mid (pH 6-8) 3.77 10.87 -11.98 0 6 0 54 435.547 3

Activity (Go SEA)

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