UCSF

ZINC59205958

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 23 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) 2.19 6.45 -7.42 1 3 0 47 344.251 7
Hi High (pH 8-9.5) 2.19 6.91 -39.31 0 3 -1 49 343.243 7

Activity (Go SEA)

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