UCSF

ZINC00985166

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 27 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) 3.00 5.51 -9.37 3 6 0 91 357.417 3
Lo Low (pH 4.5-6) 3.36 5.49 -44 3 6 0 88 358.425 3

Activity (Go SEA)

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