UCSF

ZINC33362988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 28 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) 2.81 10.59 -38.76 2 6 1 63 376.484 4
Mid Mid (pH 6-8) 2.81 10.25 -11.07 1 6 0 61 375.476 4

Activity (Go SEA)

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