UCSF

ZINC35052948

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 22 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) 0.86 -0.55 -6.65 2 5 0 56 312.454 8
Mid Mid (pH 6-8) 0.86 1.66 -37.23 3 5 1 57 313.462 8
Mid Mid (pH 6-8) 0.86 1.8 -33.5 3 5 1 57 313.462 8

Activity (Go SEA)

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