UCSF

ZINC34944180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 3.52 10.29 -62.82 0 8 -1 99 491.564 9
Mid Mid (pH 6-8) 3.52 12.55 -81.32 1 8 0 100 492.572 9
Lo Low (pH 4.5-6) 3.52 11.67 -56.64 2 8 1 98 493.58 9

Activity (Go SEA)

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