UCSF

ZINC11914062

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 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) 2.59 3.44 -13.14 3 7 0 99 379.416 5
Hi High (pH 8-9.5) 2.59 4.26 -47.81 2 7 -1 102 378.408 5

Activity (Go SEA)

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