UCSF

ZINC06902096

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 28 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) 2.53 9.28 -14.7 1 6 0 73 371.444 4
Lo Low (pH 4.5-6) 2.53 9.56 -49.03 2 6 1 74 372.452 4

Activity (Go SEA)

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