UCSF

ZINC41732663

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) -0.84 4.39 -41.81 3 4 1 51 253.366 6
Hi High (pH 8-9.5) -0.84 4.08 -6.12 2 4 0 49 252.358 6

Activity (Go SEA)

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