UCSF

ZINC07054463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 21 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) 0.75 -3.94 -15.53 2 7 0 101 309.347 4
Hi High (pH 8-9.5) 0.75 -3.36 -39.4 1 7 -1 103 308.339 4

Activity (Go SEA)

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