UCSF

ZINC36680221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 10 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) 1.30 4.59 -42.11 2 2 1 40 141.238 5
Hi High (pH 8-9.5) 1.30 3.52 -5.25 1 2 0 36 140.23 5

Activity (Go SEA)

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