UCSF

ZINC29251949

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 41 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) 9.12 16.98 -59.42 4 5 2 62 565.161 12
Hi High (pH 8-9.5) 9.12 16.22 -15.1 2 5 0 59 563.145 12
Mid Mid (pH 6-8) 9.12 16.61 -31.87 3 5 1 60 564.153 12

Activity (Go SEA)

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