UCSF

ZINC37985096

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 3.08 5.1 -57.75 3 4 1 55 359.265 6
Hi High (pH 8-9.5) 3.08 3.75 -9.05 2 4 0 51 358.257 6

Activity (Go SEA)

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