UCSF

ZINC41754786

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 1.66 6.48 -39.41 1 3 -1 52 261.128 4
Lo Low (pH 4.5-6) 1.66 4.68 -5.93 2 3 0 49 262.136 4

Activity (Go SEA)

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