UCSF

ZINC36779596

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 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) 1.48 4.46 -8.03 1 2 0 36 178.21 4
Lo Low (pH 4.5-6) 1.48 5.83 -58.42 2 2 1 40 179.218 4

Activity (Go SEA)

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