UCSF

ZINC37031048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.56 -0.33 -47.83 6 5 1 100 254.335 5
Hi High (pH 8-9.5) -0.56 -0.66 -14.39 5 5 0 98 253.327 5

Activity (Go SEA)

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