UCSF

ZINC42240509

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 2.82 4.87 -3.62 0 2 0 12 288.16 2
Lo Low (pH 4.5-6) 2.82 7.06 -35.12 1 2 1 14 289.168 2

Activity (Go SEA)

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