UCSF

ZINC23257870

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 32 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) 3.52 11.18 -46.68 1 5 1 41 433.551 5
Hi High (pH 8-9.5) 3.52 8.65 -10.28 0 5 0 40 432.543 5

Activity (Go SEA)

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