UCSF

ZINC34950304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 2.78 6.62 -46.53 0 8 -1 114 449.53 7
Mid Mid (pH 6-8) 2.78 7.08 -16.11 1 8 0 112 450.538 7

Activity (Go SEA)

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