UCSF

ZINC22165145

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) -0.80 4.44 -51.41 2 6 -1 98 252.294 6
Mid Mid (pH 6-8) -0.80 4.96 -66.19 3 6 0 99 253.302 6
Mid Mid (pH 6-8) -0.80 5.53 -60.88 2 6 -1 98 252.294 6

Activity (Go SEA)

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