UCSF

ZINC36797270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) -1.40 -2.81 -18.84 3 8 0 123 277.302 5
Mid Mid (pH 6-8) -0.94 -5.47 -53.7 2 8 -1 126 276.294 5

Activity (Go SEA)

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