UCSF

ZINC27984368

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 22 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) 1.85 9.33 -97.58 2 5 2 42 307.438 5
Mid Mid (pH 6-8) 1.85 7.01 -45.29 1 5 1 41 306.43 5

Activity (Go SEA)

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