UCSF

ZINC37115980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.68 9.97 -174.98 5 3 3 37 292.491 8
Hi High (pH 8-9.5) 2.68 5.66 -41.65 3 3 1 34 290.475 8
Mid Mid (pH 6-8) 2.68 8.04 -83.66 4 3 2 35 291.483 8

Activity (Go SEA)

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