UCSF

ZINC40159801

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 23 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) 3.07 8.13 -12.56 1 4 0 55 308.381 4
Lo Low (pH 4.5-6) 3.07 8.32 -43.4 2 4 1 56 309.389 4

Activity (Go SEA)

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