UCSF

ZINC34602916

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 36 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) 4.99 14.91 -47.75 2 5 1 54 482.648 7
Mid Mid (pH 6-8) 4.99 12.65 -8.24 1 5 0 53 481.64 7

Activity (Go SEA)

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