UCSF

ZINC17045362

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 37 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) 3.73 8.5 -51.05 1 8 -1 108 502.543 10
Mid Mid (pH 6-8) 3.73 8.26 -16.06 2 8 0 106 503.551 10
Mid Mid (pH 6-8) 3.15 8.73 -17.41 1 8 0 102 503.551 10

Activity (Go SEA)

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