UCSF

ZINC25266347

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 30 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) 2.75 8.83 -68.33 2 8 1 89 429.522 6
Hi High (pH 8-9.5) 2.75 6.89 -15.4 1 8 0 88 428.514 6
Mid Mid (pH 6-8) 3.20 6.47 -47.62 1 8 0 92 428.514 6
Mid Mid (pH 6-8) 2.75 9.08 -65.38 2 8 1 89 429.522 6

Activity (Go SEA)

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