UCSF

ZINC34686381

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 4.20 12.87 -51.12 2 6 1 63 452.619 9
Hi High (pH 8-9.5) 4.38 10.33 -50.86 1 6 0 69 451.611 9

Activity (Go SEA)

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