UCSF

ZINC25513661

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 2.45 8.83 -30.83 2 7 0 89 381.461 5
Hi High (pH 8-9.5) 2.52 7.93 -58.08 1 7 -1 95 380.453 5

Activity (Go SEA)

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