UCSF

ZINC35765343

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 3.66 9.14 -127.44 4 2 2 32 284.447 5
Mid Mid (pH 6-8) 3.66 7.32 -46.36 3 2 1 31 283.439 5
Mid Mid (pH 6-8) 3.66 8.78 -31.09 3 2 1 30 283.439 5

Activity (Go SEA)

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