UCSF

ZINC02214727

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 23 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) 3.23 6.81 -18.28 2 4 0 54 312.344 5
Mid Mid (pH 6-8) 3.30 4.54 -13.66 2 4 0 58 312.344 5

Activity (Go SEA)

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