UCSF

ZINC36986934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.86 5.27 -92.2 5 4 2 59 276.428 6
Mid Mid (pH 6-8) 1.86 4.59 -102.39 5 4 2 59 276.428 6
Mid Mid (pH 6-8) 1.86 3.02 -34.19 4 4 1 58 275.42 6
Mid Mid (pH 6-8) -1.05 5.59 -27.4 5 4 1 59 275.42 6

Activity (Go SEA)

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