UCSF

ZINC21808794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 No

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) 1.60 2.89 -51.05 3 7 1 111 306.751 3
Hi High (pH 8-9.5) 1.60 2.52 -11.89 2 7 0 109 305.743 3

Activity (Go SEA)

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