UCSF

ZINC01471221

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 22 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) 3.10 7.6 -17.35 1 4 0 66 315.373 4
Lo Low (pH 4.5-6) 3.10 7.82 -52.51 2 4 1 67 316.381 4

Activity (Go SEA)

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