UCSF

ZINC34987560

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) 3.25 9.02 -65.1 3 6 1 72 345.467 9
Hi High (pH 8-9.5) 3.25 6.56 -18.57 2 6 0 70 344.459 9
Lo Low (pH 4.5-6) 3.25 9.31 -113.88 4 6 2 73 346.475 9

Activity (Go SEA)

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