UCSF

ZINC09464201

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 5.68 12.18 -55.27 0 6 -1 86 477.949 5
Mid Mid (pH 6-8) 6.13 11.13 -27.35 1 6 0 84 478.957 4

Activity (Go SEA)

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