UCSF

ZINC43709160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) -0.37 4.18 -66.2 3 8 1 99 289.319 3
Hi High (pH 8-9.5) -0.37 2.83 -19.51 2 8 0 94 288.311 3

Activity (Go SEA)

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