UCSF

ZINC22031660

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 1.18 6.18 -43.19 3 7 1 74 290.395 6
Hi High (pH 8-9.5) 1.18 3.9 -9.77 2 7 0 73 289.387 6
Mid Mid (pH 6-8) 1.18 6.18 -40.01 3 7 1 74 290.395 6

Activity (Go SEA)

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