UCSF

ZINC40897885

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) -4.40 -5.25 -58.83 9 13 1 207 442.497 10
Hi High (pH 8-9.5) -4.40 -5.64 -21.7 8 13 0 206 441.489 10

Activity (Go SEA)

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