UCSF

ZINC03127227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 24 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) 3.69 4.2 -13.99 3 6 0 91 455.106 5
Hi High (pH 8-9.5) 3.69 4.96 -50.99 2 6 -1 94 454.098 5

Activity (Go SEA)

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