UCSF

ZINC49754442

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 19 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) -3.18 2.51 -84.11 3 7 0 118 269.301 6
Mid Mid (pH 6-8) -3.18 0.27 -60.15 2 7 -1 116 268.293 6

Activity (Go SEA)

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