UCSF

ZINC37228638

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.24 6.7 -42.43 2 3 1 29 277.432 8
Mid Mid (pH 6-8) 3.24 9.14 -119.35 3 3 2 30 278.44 8
Mid Mid (pH 6-8) 3.24 8.12 -35.33 2 3 1 26 277.432 8

Activity (Go SEA)

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