UCSF

ZINC36786954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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 5.59 -134.82 4 4 2 51 345.281 5
Mid Mid (pH 6-8) 2.81 4.52 -49.84 3 4 1 49 344.273 5

Activity (Go SEA)

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