UCSF

ZINC06428705

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 25 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) 5.63 11.13 -9.12 1 3 0 53 367.235 3
Mid Mid (pH 6-8) 5.82 9.47 -41.37 0 3 -1 59 366.227 3

Activity (Go SEA)

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