UCSF

ZINC35457459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 3.32 10.42 -11.37 0 6 0 69 392.503 3
Lo Low (pH 4.5-6) 3.32 10.84 -44.62 1 6 1 71 393.511 3

Activity (Go SEA)

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