UCSF

ZINC35775914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 19 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) 2.20 5.01 -7.6 0 4 0 45 260.337 5
Mid Mid (pH 6-8) 2.20 7.19 -42.73 1 4 1 47 261.345 5

Activity (Go SEA)

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