UCSF

ZINC63195725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 16 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) 1.32 3.21 -41.69 3 3 1 40 227.372 3
Mid Mid (pH 6-8) 1.32 4.7 -28.02 3 3 1 40 227.372 3
Mid Mid (pH 6-8) 1.32 5 -107.64 4 3 2 41 228.38 3

Activity (Go SEA)

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