UCSF

ZINC19898642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 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) 1.55 4.64 -8.98 0 5 0 42 322.43 5
Mid Mid (pH 6-8) 1.55 6.98 -42.16 1 5 1 43 323.438 5

Activity (Go SEA)

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