UCSF

ZINC38000778

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) -0.12 -1.76 -48.18 5 6 1 89 266.321 5
Hi High (pH 8-9.5) -0.12 -4.24 -10.78 4 6 0 88 265.313 5

Activity (Go SEA)

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