UCSF

ZINC36156179

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) 3.46 7.88 -37.32 2 1 1 17 202.321 1
Mid Mid (pH 6-8) 3.46 6.84 -1.49 1 1 0 12 201.313 1

Activity (Go SEA)

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