UCSF

ZINC36639757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 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) 7.35 13.46 -15.92 1 4 0 55 511.352 5
Hi High (pH 8-9.5) 7.42 12.03 -50.65 0 4 -1 61 510.344 5

Activity (Go SEA)

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