UCSF

ZINC22153378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 0.76 3.67 -43.86 4 5 1 63 277.392 4
Mid Mid (pH 6-8) 0.76 3.54 -45.57 4 5 1 63 277.392 4
Mid Mid (pH 6-8) 0.76 1.2 -11.17 3 5 0 62 276.384 4

Activity (Go SEA)

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