UCSF

ZINC49738452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.57 8.24 -42.47 2 4 1 37 304.458 7
Mid Mid (pH 6-8) 2.57 7.6 -39.9 2 4 1 37 304.458 7
Mid Mid (pH 6-8) 2.57 5.87 -7.09 1 4 0 36 303.45 7

Activity (Go SEA)

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