UCSF

ZINC14257458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 21 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) 3.90 7.05 -9.22 2 4 0 58 295.367 4
Hi High (pH 8-9.5) 4.83 8.19 -48.07 1 4 -1 64 294.359 3
Hi High (pH 8-9.5) 4.83 8.2 -49.05 1 4 -1 64 294.359 3
Hi High (pH 8-9.5) 3.90 7.83 -40.14 1 4 -1 60 294.359 4
Lo Low (pH 4.5-6) 4.83 7.42 -9.61 2 4 0 61 295.367 3

Activity (Go SEA)

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