UCSF

ZINC04660470

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 28 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) 5.34 13.9 -13.77 0 5 0 55 375.472 5
Mid Mid (pH 6-8) 5.34 14.23 -29.95 1 5 1 57 376.48 5

Activity (Go SEA)

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