UCSF

ZINC09380536

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 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) 5.34 11.22 -54.43 0 4 -1 60 439.329 6
Mid Mid (pH 6-8) 5.79 10.13 -25.48 1 4 0 58 440.337 5

Activity (Go SEA)

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