UCSF

ZINC37080996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.26 5.98 -31.53 3 3 1 40 235.351 5
Mid Mid (pH 6-8) 0.26 6.31 -117.93 4 3 2 41 236.359 5

Activity (Go SEA)

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