UCSF

ZINC37043174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.57 2.36 -87.95 4 5 0 97 208.217 3
Hi High (pH 8-9.5) 0.57 1.96 -64.74 3 5 -1 95 207.209 3

Activity (Go SEA)

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