UCSF

ZINC02715332

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 27 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) 5.49 12.23 -13.45 1 4 0 47 383.923 9
Mid Mid (pH 6-8) 5.49 12.52 -37.07 2 4 1 48 384.931 9

Activity (Go SEA)

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