UCSF

ZINC42229435

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 23 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) 1.05 5.41 -54.93 2 6 1 62 316.381 4
Hi High (pH 8-9.5) 1.05 4.01 -11.73 1 6 0 58 315.373 4

Activity (Go SEA)

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