UCSF

ZINC34986999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 3.66 10.41 -38 1 1 1 4 224.327 1
Hi High (pH 8-9.5) 3.66 7.86 -3.52 0 1 0 3 223.319 1

Activity (Go SEA)

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