UCSF

ZINC45699264

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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 8.67 -108.14 3 4 2 39 254.422 9
Mid Mid (pH 6-8) 0.76 9.14 -166.13 4 4 3 40 255.43 9

Activity (Go SEA)

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