UCSF

ZINC42267124

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 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) 2.99 10.44 -44.53 1 2 1 28 255.316 4
Hi High (pH 8-9.5) 2.99 8.1 -6.57 0 2 0 27 254.308 4

Activity (Go SEA)

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