UCSF

ZINC36238125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 4.69 10.95 -45.87 2 4 1 37 377.556 4
Hi High (pH 8-9.5) 4.69 11.26 -9.18 1 4 0 33 376.548 4
Mid Mid (pH 6-8) 4.69 11.54 -78.55 3 4 2 38 378.564 4

Activity (Go SEA)

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