UCSF

ZINC37271591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 No

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) -0.58 0.48 -42.04 3 5 1 66 218.302 3
Mid Mid (pH 6-8) -0.58 -0.76 -13.84 2 5 0 61 217.294 3

Activity (Go SEA)

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