UCSF

ZINC34987136

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 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) 2.85 7.31 -67.13 4 6 1 84 345.467 8
Hi High (pH 8-9.5) 2.85 8.54 -100.94 3 6 0 87 344.459 8
Lo Low (pH 4.5-6) 2.85 7.67 -116.33 5 6 2 85 346.475 8

Activity (Go SEA)

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