UCSF

ZINC09067238

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 29 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) 4.29 10.55 -58.14 0 5 -1 74 451.296 5
Mid Mid (pH 6-8) 4.74 10.25 -11.24 1 5 0 71 452.304 4

Activity (Go SEA)

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