UCSF

ZINC14011359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 21 No

Other Names:

MFCD02951626

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) 5.21 8.71 -7.13 1 3 0 45 314.435 2
Ref Reference (pH 7) 5.21 9.12 -7.39 1 3 0 45 314.435 2
Hi High (pH 8-9.5) 5.67 6.95 -44.05 0 3 -1 48 313.427 2
Hi High (pH 8-9.5) 5.67 7.61 -42.85 0 3 -1 48 313.427 2

Activity (Go SEA)

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