UCSF

ZINC34987558

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 3.06 7.95 -69.54 4 6 1 84 359.494 9
Hi High (pH 8-9.5) 3.06 9.17 -103.03 3 6 0 87 358.486 9
Lo Low (pH 4.5-6) 3.06 8.24 -120.45 5 6 2 85 360.502 9

Activity (Go SEA)

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