UCSF

ZINC34989673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.28 7.73 -39.57 1 2 1 22 210.272 4
Hi High (pH 8-9.5) 2.28 5.51 -10.48 0 2 0 20 209.264 4

Activity (Go SEA)

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