UCSF

ZINC37820002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.66 -0.81 -51.23 4 6 1 94 278.398 5
Hi High (pH 8-9.5) -0.66 -1.15 -14.99 3 6 0 93 277.39 5

Activity (Go SEA)

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