UCSF

ZINC36322074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.18 8.32 -51.97 3 4 1 54 350.364 6
Hi High (pH 8-9.5) 4.18 8.03 -7.46 2 4 0 53 349.356 6

Activity (Go SEA)

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