UCSF

ZINC34974735

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.33 8.41 -42.56 3 1 1 28 260.426 3
Hi High (pH 8-9.5) 3.33 8.06 -3.62 2 1 0 26 259.418 3

Activity (Go SEA)

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