UCSF

ZINC33387060

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 34 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) 2.70 13.18 -67.27 1 7 1 75 494.666 5
Mid Mid (pH 6-8) 2.70 10.79 -15.3 0 7 0 74 493.658 5

Activity (Go SEA)

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