UCSF

ZINC08739158

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 37 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 11.74 -83.92 2 7 0 94 500.595 10
Mid Mid (pH 6-8) 3.67 -0.23 -47.31 2 7 1 88 501.603 10

Activity (Go SEA)

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