UCSF

ZINC34949318

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 13.96 -41.45 3 6 1 84 406.506 6
Hi High (pH 8-9.5) 5.14 14.21 -11.71 2 6 0 82 405.498 6

Activity (Go SEA)

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