UCSF

ZINC37115595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.27 1.25 -18.46 3 9 0 124 315.355 4
Mid Mid (pH 6-8) 0.27 3.63 -63.16 4 9 1 126 316.363 4

Activity (Go SEA)

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