UCSF

ZINC36861117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 0.48 1.93 -42.89 5 5 1 75 225.316 6
Mid Mid (pH 6-8) 0.04 0.07 -92.94 5 5 2 74 226.324 6

Activity (Go SEA)

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