UCSF

ZINC33121295

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 35 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) 3.82 8.65 -50.26 4 7 1 95 493.653 7
Hi High (pH 8-9.5) 3.82 7.24 -13.66 3 7 0 91 492.645 7

Activity (Go SEA)

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