UCSF

ZINC20364718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 0.57 2.77 -39.94 3 5 1 55 260.402 11
Hi High (pH 8-9.5) 0.57 0.56 -9.18 2 5 0 54 259.394 11
Mid Mid (pH 6-8) 0.57 1.78 -39.96 3 5 1 58 260.402 11
Mid Mid (pH 6-8) 0.57 3.99 -112.43 4 5 2 59 261.41 11

Activity (Go SEA)

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