UCSF

ZINC25449378

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 3.53 7.22 -60.3 3 6 1 80 419.448 7
Hi High (pH 8-9.5) 3.53 8.01 -78.75 2 6 0 83 418.44 7
Hi High (pH 8-9.5) 3.53 5.09 -25.13 2 6 0 79 418.44 7
Hi High (pH 8-9.5) 3.53 5.88 -54.95 1 6 -1 82 417.432 7

Activity (Go SEA)

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