UCSF

ZINC21984512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 10 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) 0.85 2.76 -43.18 3 3 1 54 146.21 5
Mid Mid (pH 6-8) 0.85 2.44 -5.78 2 3 0 52 145.202 5

Activity (Go SEA)

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