UCSF

ZINC35633640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 2.77 4.78 -71.86 2 5 0 78 325.821 5
Lo Low (pH 4.5-6) 2.95 5.27 -51.65 3 5 1 79 326.829 4

Activity (Go SEA)

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