UCSF

ZINC43427203

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 No

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) 2.28 -0.29 -2.74 0 5 0 62 210.281 3
Mid Mid (pH 6-8) 2.28 1.91 -37.58 1 5 1 63 211.289 3

Activity (Go SEA)

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