UCSF

ZINC34949320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 5.14 14.14 -41.91 3 6 1 84 406.506 6
Hi High (pH 8-9.5) 5.14 14.36 -12.14 2 6 0 82 405.498 6

Activity (Go SEA)

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