UCSF

ZINC37081233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) -0.16 3.54 -33.51 4 4 1 68 191.258 3
Mid Mid (pH 6-8) -0.16 4.52 -8.14 3 4 0 66 190.25 3

Activity (Go SEA)

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