UCSF

ZINC42818255

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) -0.96 3.29 -54.07 1 7 -1 99 305.376 5
Hi High (pH 8-9.5) -0.96 2.97 -134.16 0 7 -2 101 304.368 5

Activity (Go SEA)

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