UCSF

ZINC29253004

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 20 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) 1.25 5.01 -11.98 1 5 0 68 282.328 3
Hi High (pH 8-9.5) 1.32 4.11 -41.15 0 5 -1 74 281.32 3

Activity (Go SEA)

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