UCSF

ZINC20082468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 36 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) 6.00 14.92 -62.85 1 6 0 74 533.496 11
Hi High (pH 8-9.5) 6.00 12.69 -51.22 0 6 -1 73 532.488 11

Activity (Go SEA)

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