UCSF

ZINC19537189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 2.96 5.66 -24.68 1 3 1 21 242.346 1
Mid Mid (pH 6-8) 2.96 7.87 -39.01 1 3 1 21 242.346 1
Mid Mid (pH 6-8) 2.96 5.4 -7.42 0 3 0 19 241.338 1

Activity (Go SEA)

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