UCSF

ZINC06729146

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 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) 4.33 11.04 -15.19 2 6 0 72 360.417 4
Lo Low (pH 4.5-6) 4.33 11.37 -30.52 3 6 1 73 361.425 4

Activity (Go SEA)

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