UCSF

ZINC25402268

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 28 No

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) 2.14 6.59 -20.86 2 9 0 122 381.392 6
Mid Mid (pH 6-8) 2.14 7.01 -47.37 3 9 1 123 382.4 6

Activity (Go SEA)

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