UCSF

ZINC37292598

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.69 8.59 -33.36 2 4 1 33 309.503 6
Lo Low (pH 4.5-6) 2.69 9.04 -71.83 3 4 2 34 310.511 6

Activity (Go SEA)

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