UCSF

ZINC43412614

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) 1.89 2.97 -39.77 3 5 1 71 315.459 7
Hi High (pH 8-9.5) 1.89 0.75 -9 2 5 0 70 314.451 7

Activity (Go SEA)

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