UCSF

ZINC42902655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.28 7.19 -98.78 4 3 2 35 279.472 8
Hi High (pH 8-9.5) 2.28 4.71 -40.89 3 3 1 34 278.464 8

Activity (Go SEA)

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