UCSF

ZINC36996878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 2.89 5.01 -33.3 2 2 1 20 211.373 4
Lo Low (pH 4.5-6) 2.89 7.58 -101.74 3 2 2 21 212.381 4

Activity (Go SEA)

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