UCSF

ZINC35752682

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 32 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) 4.69 10.42 -17.1 2 9 0 130 473.942 7
Hi High (pH 8-9.5) 4.88 9.19 -42.36 1 9 -1 136 472.934 7

Activity (Go SEA)

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