UCSF

ZINC51281742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 21 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) 1.29 3.52 -34.99 2 4 1 37 301.357 6
Mid Mid (pH 6-8) 1.29 3.54 -39.66 2 4 1 37 301.357 6
Mid Mid (pH 6-8) 1.29 1.22 -6.63 1 4 0 36 300.349 6

Activity (Go SEA)

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