UCSF

ZINC27530943

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.69 4.45 -35.39 3 4 1 55 369.226 9
Mid Mid (pH 6-8) 3.99 6.47 -48.21 3 6 1 72 336.456 10

Activity (Go SEA)

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