UCSF

ZINC34667816

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 3.03 8.09 -45.64 3 9 1 97 462.53 6
Mid Mid (pH 6-8) 3.03 7.76 -19.32 2 9 0 96 461.522 6

Activity (Go SEA)

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