UCSF

ZINC05726377

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 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) 3.10 12.67 -61.5 1 7 -1 105 406.414 6
Lo Low (pH 4.5-6) 3.10 10.68 -16.48 2 7 0 102 407.422 6

Activity (Go SEA)

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