UCSF

ZINC04424090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 31 Yes

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) 4.86 14.99 -13.27 1 8 0 88 428.533 12
Hi High (pH 8-9.5) 5.04 14.75 -38.1 0 8 -1 89 427.525 12

Activity (Go SEA)

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