UCSF

ZINC09631704

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 33 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) 1.60 4.81 -19.25 4 9 0 135 445.479 7
Lo Low (pH 4.5-6) 1.60 5 -70.06 5 9 1 137 446.487 7

Activity (Go SEA)

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