UCSF

ZINC08744149

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 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) 3.36 9.24 -54.96 0 8 -1 105 464.523 7
Mid Mid (pH 6-8) 3.80 9.16 -19.17 1 8 0 102 465.531 6

Activity (Go SEA)

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