UCSF

ZINC05380728

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 23 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) 2.15 5.35 -56.27 1 5 -1 71 314.361 2
Mid Mid (pH 6-8) 2.30 5.91 -19.3 1 5 0 65 315.369 2

Activity (Go SEA)

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