UCSF

ZINC21819815

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 2.29 8.86 -36.64 3 2 1 30 261.433 4
Mid Mid (pH 6-8) 2.29 9.19 -134.1 4 2 2 32 262.441 4

Activity (Go SEA)

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