UCSF

ZINC21143761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 23 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) 1.93 7.99 -21.7 1 6 0 72 311.341 3
Mid Mid (pH 6-8) 1.93 8.27 -50.7 2 6 1 73 312.349 3

Activity (Go SEA)

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