UCSF

ZINC00107098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 25 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) 3.35 8.85 -21.18 1 4 0 62 338.451 5
Mid Mid (pH 6-8) 3.35 -0.4 -38.25 2 4 1 64 339.459 5

Activity (Go SEA)

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