UCSF

ZINC22935951

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.46 7.98 -120.43 3 2 2 21 238.35 5
Mid Mid (pH 6-8) 2.46 6.67 -35.06 2 2 1 16 237.342 5

Activity (Go SEA)

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