UCSF

ZINC34580383

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 36 No

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) 4.28 10.12 -47.19 4 8 1 96 512.009 9
Hi High (pH 8-9.5) 4.28 8.77 -9.88 3 8 0 91 511.001 9

Activity (Go SEA)

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