UCSF

ZINC23930729

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 27 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) 2.01 7.57 -57.57 2 7 1 84 390.847 4
Hi High (pH 8-9.5) 2.01 5.35 -17.05 1 7 0 83 389.839 4

Activity (Go SEA)

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