UCSF

ZINC36804076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 2.11 3.67 -46.61 2 4 1 44 289.149 5
Hi High (pH 8-9.5) 2.11 2.32 -5.68 1 4 0 40 288.141 5

Activity (Go SEA)

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