UCSF

ZINC35511589

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 4.15 6.85 -10.36 2 7 0 81 439.269 3
Lo Low (pH 4.5-6) 4.15 7.05 -36.16 3 7 1 82 440.277 3

Activity (Go SEA)

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