UCSF

ZINC39351705

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 30 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) 3.90 5.47 -11.66 0 5 0 56 397.478 6
Lo Low (pH 4.5-6) 3.90 6.9 -38.09 1 5 1 58 398.486 6

Activity (Go SEA)

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