UCSF

ZINC36237134

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 1.54 7.8 -11.25 0 6 0 49 354.454 4
Mid Mid (pH 6-8) 1.54 8.94 -47.88 1 6 1 50 355.462 4
Lo Low (pH 4.5-6) 1.54 9.42 -94.38 2 6 2 51 356.47 4

Activity (Go SEA)

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