UCSF

ZINC35015574

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.93 5.1 -44.52 2 5 1 54 363.272 11
Hi High (pH 8-9.5) 1.93 3.72 -8.54 1 5 0 49 362.264 11

Activity (Go SEA)

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