UCSF

ZINC35893035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 30 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) 5.81 15.34 -44.23 1 4 1 33 419.618 5
Mid Mid (pH 6-8) 5.81 13.09 -6.35 0 4 0 32 418.61 5

Activity (Go SEA)

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