UCSF

ZINC69947457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 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) 0.93 4.74 -95.09 3 6 2 68 298.431 7
Hi High (pH 8-9.5) 0.93 2.67 -37.84 2 6 1 67 297.423 7

Activity (Go SEA)

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