UCSF

ZINC52295772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) 1.35 0.34 -55.81 4 4 1 74 247.365 4
Hi High (pH 8-9.5) 1.35 -0.06 -8.61 3 4 0 72 246.357 4

Activity (Go SEA)

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