UCSF

ZINC36731731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 0.31 5.42 -48.87 4 6 1 85 221.288 5
Lo Low (pH 4.5-6) 0.31 5.7 -90.11 5 6 2 87 222.296 5

Activity (Go SEA)

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