UCSF

ZINC37256259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 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) 1.48 4.04 -39.36 3 3 1 46 229.369 2
Mid Mid (pH 6-8) 1.48 2.82 -9.26 2 3 0 41 228.361 2

Activity (Go SEA)

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