UCSF

ZINC45698171

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.76 5.32 -95.17 4 5 2 63 269.389 9
Hi High (pH 8-9.5) 0.76 4.17 -39.79 3 5 1 59 268.381 9

Activity (Go SEA)

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