UCSF

ZINC37284203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) -0.18 -0.66 -53.54 5 7 1 95 298.411 4
Mid Mid (pH 6-8) -0.18 0.48 -47.29 5 7 1 92 298.411 4

Activity (Go SEA)

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