UCSF

ZINC08837850

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 4.35 12.45 -66.55 2 8 1 101 442.499 4
Hi High (pH 8-9.5) 4.35 11.16 -20.62 1 8 0 96 441.491 4

Activity (Go SEA)

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