UCSF

ZINC20761369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 34 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) 4.91 13.49 -130.08 2 6 2 58 462.59 4
Hi High (pH 8-9.5) 4.91 11.55 -54.92 1 6 1 56 461.582 4
Hi High (pH 8-9.5) 4.91 11.04 -48.14 1 6 1 56 461.582 4

Activity (Go SEA)

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