UCSF

ZINC36962798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.27 1.82 -39.43 2 4 1 38 229.344 6
Lo Low (pH 4.5-6) 0.27 4.1 -103.6 3 4 2 40 230.352 6

Activity (Go SEA)

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