UCSF

ZINC35602428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 12 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) -0.43 0.4 -38.48 3 4 1 55 170.236 4
Hi High (pH 8-9.5) -0.43 -0.87 -7.27 2 4 0 50 169.228 4

Activity (Go SEA)

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