UCSF

ZINC51481301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 18 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) 1.53 6.44 -41.67 2 4 1 42 250.366 5
Hi High (pH 8-9.5) 1.53 5.52 -5.12 1 4 0 37 249.358 5
Mid Mid (pH 6-8) 1.53 6.9 -94.7 3 4 2 43 251.374 5

Activity (Go SEA)

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