UCSF

ZINC20135638

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 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) 3.64 8.08 -6.58 1 3 0 30 257.381 5
Mid Mid (pH 6-8) 3.64 8.18 -28.57 2 3 1 31 258.389 5

Activity (Go SEA)

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