UCSF

ZINC16097041

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 30 Yes

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) 4.03 6.19 -16.31 2 7 0 116 441.534 6
Hi High (pH 8-9.5) 4.03 6.26 -54.02 1 7 -1 118 440.526 6
Hi High (pH 8-9.5) 4.03 6.25 -41.51 1 7 -1 118 440.526 6
Hi High (pH 8-9.5) 4.03 6.33 -105.58 0 7 -2 120 439.518 6

Activity (Go SEA)

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