UCSF

ZINC25560611

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 24 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) 5.46 14.21 -10.66 0 4 0 43 469.113 2
Mid Mid (pH 6-8) 5.47 15.21 -48.71 2 4 1 47 470.121 2
Mid Mid (pH 6-8) 5.46 14.53 -39.12 1 4 1 45 470.121 2

Activity (Go SEA)

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