UCSF

ZINC24700358

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 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) 1.40 4.53 -46.37 1 4 1 42 277.316 2
Mid Mid (pH 6-8) 1.40 2.14 -6.66 0 4 0 41 276.308 2

Activity (Go SEA)

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