UCSF

ZINC28494908

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 27 Yes

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) 3.82 9.42 -13.77 1 5 0 66 386.517 8
Hi High (pH 8-9.5) 3.82 9.48 -42.02 0 5 -1 69 385.509 8

Activity (Go SEA)

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