UCSF

ZINC07990226

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 24 No

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) 1.81 4.6 -53.09 3 7 1 85 332.38 8
Hi High (pH 8-9.5) 1.81 2.4 -21.83 2 7 0 84 331.372 8

Activity (Go SEA)

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