UCSF

ZINC36273014

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.51 8.81 -45.66 3 5 1 51 340.426 3
Mid Mid (pH 6-8) 2.51 7.5 -40.46 3 5 1 51 340.426 3
Mid Mid (pH 6-8) 2.51 6.43 -8.86 2 5 0 50 339.418 3
Lo Low (pH 4.5-6) 2.51 7.96 -80.45 4 5 2 52 341.434 3

Activity (Go SEA)

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