UCSF

ZINC01516590

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 26 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) 3.19 7.77 -13.42 1 6 0 70 370.43 6
Hi High (pH 8-9.5) 3.26 6.85 -42.91 0 6 -1 76 369.422 6

Activity (Go SEA)

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