UCSF

ZINC37116379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) -2.34 -1.3 -45.16 4 5 1 80 174.224 5
Hi High (pH 8-9.5) -2.34 -2.69 -12.18 3 5 0 75 173.216 5

Activity (Go SEA)

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