UCSF

ZINC05200038

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 27 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 8.48 -49.29 1 3 -1 60 383.43 2
Mid Mid (pH 6-8) 4.02 7.05 -11.79 2 3 0 58 384.438 2
Mid Mid (pH 6-8) 3.44 7.06 -8.57 1 3 0 54 384.438 2

Activity (Go SEA)

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