UCSF

ZINC52294452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 9 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) 0.86 3.13 -107.35 4 2 2 33 130.235 4
Hi High (pH 8-9.5) 0.86 1.69 -32.91 3 2 1 29 129.227 4

Activity (Go SEA)

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