UCSF

ZINC19796480

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 3.20 8.46 -15.04 1 6 0 72 379.441 4
Hi High (pH 8-9.5) 3.27 7.56 -45.41 0 6 -1 78 378.433 4

Activity (Go SEA)

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