UCSF

ZINC20279351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 25 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) 2.42 7.34 -47.66 2 6 1 63 350.483 5
Hi High (pH 8-9.5) 2.42 5.03 -11.52 1 6 0 62 349.475 5
Mid Mid (pH 6-8) 2.42 7.35 -56.74 2 6 1 63 350.483 5

Activity (Go SEA)

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