UCSF

ZINC25518194

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 2.11 4.65 -80.39 4 8 0 125 472.592 7
Hi High (pH 8-9.5) 2.11 2.45 -64.5 3 8 -1 124 471.584 7
Lo Low (pH 4.5-6) 2.11 4.65 -56.01 5 8 1 123 473.6 7

Activity (Go SEA)

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