UCSF

ZINC58161712

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 21 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) 2.96 3.74 -42.47 4 5 1 77 308.324 5
Mid Mid (pH 6-8) 2.96 2.04 -14.52 3 5 0 75 307.316 5

Activity (Go SEA)

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