UCSF

ZINC37092850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.88 4.89 -34.23 4 4 1 68 219.312 3
Mid Mid (pH 6-8) 0.88 4.95 -5.32 3 4 0 66 218.304 3

Activity (Go SEA)

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