UCSF

ZINC74946458

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2012 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) 2.36 9.42 -41.9 1 3 1 25 273.4 2
Mid Mid (pH 6-8) 2.36 7.2 -7.78 0 3 0 24 272.392 2

Activity (Go SEA)

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