UCSF

ZINC22221427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) 1.10 4.36 -91.6 4 4 2 48 236.363 4
Hi High (pH 8-9.5) 1.10 2 -49.42 3 4 1 47 235.355 4
Mid Mid (pH 6-8) 1.10 4.65 -181.31 5 4 3 49 237.371 4

Activity (Go SEA)

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