UCSF

ZINC36889716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 3.73 11.26 -18.62 0 3 0 43 262.349 9
Hi High (pH 8-9.5) 4.48 10.18 -58.42 0 3 -1 49 261.341 8

Activity (Go SEA)

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