UCSF

ZINC45704427

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.14 4.78 -34.16 3 3 1 40 269.384 8
Mid Mid (pH 6-8) 2.14 5.32 -35.98 3 3 1 37 269.384 8
Lo Low (pH 4.5-6) 2.14 6.47 -111.69 4 3 2 41 270.392 8

Activity (Go SEA)

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