UCSF

ZINC25578457

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 26 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) 2.43 4.57 -24.99 2 7 0 101 400.501 8
Hi High (pH 8-9.5) 2.62 3.49 -51.09 1 7 -1 107 399.493 8

Activity (Go SEA)

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