UCSF

ZINC35512254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 2.71 9.56 -13.83 0 7 0 58 432.524 4
Mid Mid (pH 6-8) 2.71 10.03 -43.64 1 7 1 59 433.532 4

Activity (Go SEA)

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