UCSF

ZINC20873415

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 3.85 9.63 -41.57 3 4 1 55 361.893 8
Hi High (pH 8-9.5) 3.85 8.22 -11.68 2 4 0 50 360.885 8

Activity (Go SEA)

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