UCSF

ZINC50054300

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) 2.14 9.67 -41.54 1 5 1 51 301.451 11
Hi High (pH 8-9.5) 2.14 7.66 -10.35 0 5 0 50 300.443 11

Activity (Go SEA)

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