UCSF

ZINC20135767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 29 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) 4.60 9.3 -7.92 2 3 0 32 397.444 4
Mid Mid (pH 6-8) 4.60 11.08 -47.39 3 3 1 34 398.452 4

Activity (Go SEA)

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