UCSF

ZINC16695947

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 23 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) 5.28 7.76 -10.15 1 4 0 54 344.823 3
Ref Reference (pH 7) 4.79 7.54 -44.56 0 4 -1 53 343.815 4
Hi High (pH 8-9.5) 5.74 5.74 -53.19 0 4 -1 58 343.815 3
Hi High (pH 8-9.5) 5.74 6.06 -50.05 0 4 -1 58 343.815 3

Activity (Go SEA)

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