UCSF

ZINC35894180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 33 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) 4.75 14.37 -45.38 2 4 1 37 444.574 6
Mid Mid (pH 6-8) 4.75 12.11 -9.65 1 4 0 36 443.566 6

Activity (Go SEA)

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