UCSF

ZINC36877975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.12 7.04 -46.36 4 3 1 56 264.352 3
Mid Mid (pH 6-8) 3.12 7.34 -32.89 4 3 1 56 264.352 3
Mid Mid (pH 6-8) 3.12 6.76 -8.72 3 3 0 55 263.344 3
Lo Low (pH 4.5-6) 3.12 7.65 -122.01 5 3 2 58 265.36 3

Activity (Go SEA)

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