UCSF

ZINC37340057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.23 0.08 -11.66 2 5 0 70 265.309 4
Hi High (pH 8-9.5) 1.23 1.01 -44.24 1 5 -1 73 264.301 4
Lo Low (pH 4.5-6) 1.23 2.17 -44.03 3 5 1 71 266.317 4

Activity (Go SEA)

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