UCSF

ZINC36770958

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) 0.78 3.09 -59.89 3 5 1 62 286.355 5
Mid Mid (pH 6-8) 0.78 4.75 -134.45 4 5 2 63 287.363 5

Activity (Go SEA)

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