UCSF

ZINC63917960

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 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) 2.72 6.31 -47.29 3 4 1 55 276.404 7
Mid Mid (pH 6-8) 2.72 5.69 -27.07 3 4 1 51 276.404 7
Mid Mid (pH 6-8) 2.72 5.19 -8.61 2 4 0 50 275.396 7

Activity (Go SEA)

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