UCSF

ZINC34624499

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 31 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) -3.25 -0.8 -362.78 3 16 -4 261 503.169 8
Mid Mid (pH 6-8) -3.25 -1.96 -224.76 4 16 -3 258 504.177 8

Activity (Go SEA)

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