UCSF

ZINC25471338

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 1.26 4.53 -25.69 1 8 0 103 485.385 5
Hi High (pH 8-9.5) 1.72 3.55 -59.45 0 8 -1 107 484.377 5

Activity (Go SEA)

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