UCSF

ZINC36135463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 1.09 4.2 -7.37 2 4 0 53 274.364 2
Lo Low (pH 4.5-6) 1.09 5.4 -37.47 3 4 1 57 275.372 2

Activity (Go SEA)

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