UCSF

ZINC04690405

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 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) 4.59 13.44 -46.55 1 3 1 23 362.493 9
Mid Mid (pH 6-8) 4.59 11.32 -7.33 0 3 0 22 361.485 9

Activity (Go SEA)

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