UCSF

ZINC12492351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 23 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) 3.15 7.18 -17.06 2 6 0 83 303.325 2
Hi High (pH 8-9.5) 3.60 5.14 -58.22 1 6 -1 86 302.317 2

Activity (Go SEA)

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