UCSF

ZINC43428537

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) -1.16 5.32 -112.09 1 8 -2 122 298.295 5
Lo Low (pH 4.5-6) -1.16 3.34 -57.95 2 8 -1 119 299.303 5

Activity (Go SEA)

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