UCSF

ZINC13802239

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 34 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) 1.52 0.25 -36.9 5 6 1 89 463.598 6
Hi High (pH 8-9.5) 1.52 -0.01 -9.19 4 6 0 87 462.59 6

Activity (Go SEA)

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