UCSF

ZINC06355789

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 28 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) 4.02 9.28 -27.34 2 6 0 84 397.5 5
Mid Mid (pH 6-8) 4.64 -2.55 -11.33 2 6 0 84 397.5 5

Activity (Go SEA)

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