UCSF

ZINC37000473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.31 1.61 -41.16 4 5 1 75 260.383 5
Mid Mid (pH 6-8) 0.31 -0.1 -9.48 3 5 0 70 259.375 5

Activity (Go SEA)

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