UCSF

ZINC49771500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 29 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) 1.54 0.41 -145.01 4 11 -2 183 433.398 11
Mid Mid (pH 6-8) 1.54 -0.74 -54.02 5 11 -1 180 434.406 11

Activity (Go SEA)

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