UCSF

ZINC19608989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 22 No

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) 2.88 8.83 -43.91 1 6 1 67 304.37 7
Hi High (pH 8-9.5) 2.88 6.3 -10.26 0 6 0 65 303.362 7
Mid Mid (pH 6-8) 2.88 8.7 -44.59 1 6 1 67 304.37 7

Activity (Go SEA)

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