UCSF

ZINC37835954

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.62 7.43 -52.45 0 6 -1 87 254.262 7
Lo Low (pH 4.5-6) 0.62 5.45 -16.19 1 6 0 84 255.27 7

Activity (Go SEA)

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