UCSF

ZINC36273942

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) 3.17 7.81 -46.18 2 5 1 46 391.417 5
Hi High (pH 8-9.5) 3.17 6.43 -9.82 1 5 0 42 390.409 5
Lo Low (pH 4.5-6) 3.17 8.41 -82.94 3 5 2 48 392.425 5

Activity (Go SEA)

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