UCSF

ZINC42782045

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 3.28 4.82 -7.8 1 3 0 24 288.313 5
Lo Low (pH 4.5-6) 3.28 6.51 -38.96 2 3 1 26 289.321 5

Activity (Go SEA)

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