UCSF

ZINC04264978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 24 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) 1.79 0.34 -15.6 1 8 0 99 326.312 5
Hi High (pH 8-9.5) 1.86 -1.79 -54.86 0 8 -1 106 325.304 5

Activity (Go SEA)

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