UCSF

ZINC36126259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 2.27 7.09 -43.72 2 5 1 40 305.446 4
Hi High (pH 8-9.5) 2.27 4.61 -8.24 1 5 0 39 304.438 4
Lo Low (pH 4.5-6) 2.27 9.07 -118.22 3 5 2 41 306.454 4

Activity (Go SEA)

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