UCSF

ZINC43394958

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 4.14 10.16 -33.09 2 3 1 43 276.4 6
Mid Mid (pH 6-8) 4.14 9.13 -5.16 1 3 0 38 275.392 6

Activity (Go SEA)

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