UCSF

ZINC42808607

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) -2.98 0.48 -102.43 1 8 -2 136 267.259 9
Lo Low (pH 4.5-6) -2.98 -1.53 -45.61 2 8 -1 133 268.267 9

Activity (Go SEA)

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