UCSF

ZINC28048256

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 27 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) 3.10 8.79 -12.85 1 6 0 69 361.401 6
Mid Mid (pH 6-8) 3.10 9.18 -35.46 2 6 1 71 362.409 6

Activity (Go SEA)

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