UCSF

ZINC20148566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 15 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) 3.76 8.15 -38.91 2 1 1 17 222.377 4
Hi High (pH 8-9.5) 3.76 6.91 -2.23 1 1 0 12 221.369 4

Activity (Go SEA)

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