UCSF

ZINC60261388

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 13 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) -4.04 -2.41 -117.03 7 6 1 125 190.223 6
Mid Mid (pH 6-8) -4.04 -2.71 -67.82 6 6 0 123 189.215 6

Activity (Go SEA)

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