UCSF

ZINC36798068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.28 2.89 -4.43 2 4 0 48 264.369 4
Mid Mid (pH 6-8) 2.28 5.03 -34.61 3 4 1 49 265.377 4

Activity (Go SEA)

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