UCSF

ZINC19798209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 27 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) 0.15 4.93 -44.86 3 7 0 114 366.373 3
Hi High (pH 8-9.5) 0.15 4.06 -58.2 2 7 -1 110 365.365 3
Hi High (pH 8-9.5) 0.15 5.71 -58.47 2 7 -1 117 365.365 3

Activity (Go SEA)

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