UCSF

ZINC33395762

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 38 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) 5.40 20.97 -18.8 1 11 0 118 519.606 10
Mid Mid (pH 6-8) 5.40 21.32 -32.93 2 11 1 119 520.614 10

Activity (Go SEA)

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