UCSF

ZINC06571333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 2.80 9.9 -13.13 0 6 0 76 389.436 2
Lo Low (pH 4.5-6) 2.80 10.18 -35.27 1 6 1 78 390.444 2

Activity (Go SEA)

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