UCSF

ZINC27177976

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 28 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) 4.38 8.16 -13.83 1 5 0 66 398.459 5
Mid Mid (pH 6-8) 4.38 8.23 -39.5 0 5 -1 69 397.451 5

Activity (Go SEA)

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