UCSF

ZINC36980079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.39 10.47 -39.68 2 3 1 43 312.861 9
Mid Mid (pH 6-8) 4.39 9.62 -3.9 1 3 0 38 311.853 9

Activity (Go SEA)

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