UCSF

ZINC13856034

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 24 No

Other Names:

MFCD05098345

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) 6.03 9.26 -10.29 1 3 0 45 379.257 2
Ref Reference (pH 7) 6.03 9.58 -9.3 1 3 0 45 379.257 2
Hi High (pH 8-9.5) 6.48 7.75 -46.88 0 3 -1 48 378.249 2
Hi High (pH 8-9.5) 6.48 7.27 -50.7 0 3 -1 48 378.249 2

Activity (Go SEA)

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