UCSF

ZINC37319674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 3.46 8.6 -111.7 3 3 2 24 295.515 6
Mid Mid (pH 6-8) 3.46 6.76 -36 2 3 1 23 294.507 6
Lo Low (pH 4.5-6) 3.46 10.85 -202.12 4 3 3 25 296.523 6

Activity (Go SEA)

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