UCSF

ZINC36786959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 2.62 5.45 -132.83 4 4 2 51 359.308 5
Mid Mid (pH 6-8) 2.62 4.22 -48.75 3 4 1 49 358.3 5

Activity (Go SEA)

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