UCSF

ZINC37019901

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) -0.43 -0.06 -55.66 4 5 1 91 257.335 4
Hi High (pH 8-9.5) -0.43 -0.39 -14.06 3 5 0 89 256.327 4

Activity (Go SEA)

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