UCSF

ZINC25538065

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 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) 3.05 10.33 -15.79 1 6 0 73 349.419 3
Hi High (pH 8-9.5) 3.11 9.43 -43.46 0 6 -1 79 348.411 3
Mid Mid (pH 6-8) 3.05 10.81 -48.03 2 6 1 74 350.427 3

Activity (Go SEA)

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