UCSF

ZINC08788335

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 19 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) 2.55 -3.29 -10.76 3 4 0 68 269.329 2
Lo Low (pH 4.5-6) 2.55 -3.2 -41.08 4 4 1 69 270.337 2

Activity (Go SEA)

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