UCSF

ZINC45688198

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 0.75 2.77 -7.77 3 5 0 77 209.249 6
Mid Mid (pH 6-8) 0.75 3.22 -30.86 4 5 1 78 210.257 6

Activity (Go SEA)

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