UCSF

ZINC01197564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 28 No

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) 3.87 9.71 -21.18 1 6 0 74 385.46 7
Mid Mid (pH 6-8) 3.99 -0.66 -9.64 0 6 0 74 385.46 7

Activity (Go SEA)

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