UCSF

ZINC04163698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.66 4.05 -13.41 3 5 0 78 396.34 4
Hi High (pH 8-9.5) 3.29 4.48 -33.05 3 5 0 86 396.34 4
Mid Mid (pH 6-8) 3.29 3.67 -48.29 4 5 1 84 397.348 4

Activity (Go SEA)

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