UCSF

ZINC01430055

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 23 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) 2.89 -4.57 -11.89 2 6 0 84 335.36 5
Hi High (pH 8-9.5) 2.89 -3.99 -37.78 1 6 -1 86 334.352 5

Activity (Go SEA)

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