UCSF

ZINC02614528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.13 9.56 -20.3 1 5 0 64 424.547 7
Mid Mid (pH 6-8) 6.59 8.32 -49.65 0 5 -1 67 423.539 7

Activity (Go SEA)

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