UCSF

ZINC19515844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 No

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) 1.71 5.6 -50.57 3 4 1 47 265.406 4
Mid Mid (pH 6-8) 1.71 3.23 -14.08 2 4 0 45 264.398 4

Activity (Go SEA)

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