UCSF

ZINC37851232

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.10 -2.23 -44.02 4 5 1 76 222.305 11
Hi High (pH 8-9.5) -1.10 -3.6 -8.75 3 5 0 71 221.297 11

Activity (Go SEA)

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