UCSF

ZINC06794887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 29 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) 3.01 9.49 -50.24 2 7 0 89 398.459 9
Mid Mid (pH 6-8) 3.01 8.12 -53.09 1 7 -1 85 397.451 9

Activity (Go SEA)

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