UCSF

ZINC34926930

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 No

Download: MOL2 SDF SMILES Flexibase

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) 2.43 7.13 -39.49 5 4 1 62 276.172 1
Mid Mid (pH 6-8) 2.30 7.28 -37.66 5 4 1 64 276.172 1
Mid Mid (pH 6-8) 2.30 5.11 -38.1 5 4 1 64 276.172 1
Mid Mid (pH 6-8) 2.43 7.1 -9.53 4 4 0 60 275.164 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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