UCSF

ZINC09470821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 32 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) 4.25 11.32 -66.23 0 7 -1 96 431.468 7
Mid Mid (pH 6-8) 4.70 10.52 -24.89 1 7 0 93 432.476 6

Activity (Go SEA)

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