UCSF

ZINC62857317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 15 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) 0.98 5.2 -33.24 2 3 1 37 211.329 3

Activity (Go SEA)

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