UCSF

ZINC59355575

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 20 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) 4.30 9.43 -4.63 2 3 0 52 277.408 11
Mid Mid (pH 6-8) 4.30 9.76 -41.1 3 3 1 54 278.416 11

Activity (Go SEA)

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