UCSF

ZINC11990654

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 30 No

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) 4.86 10.4 -10.02 1 5 0 70 499.411 3
Ref Reference (pH 7) 4.86 10.48 -13.6 1 5 0 70 499.411 3
Mid Mid (pH 6-8) 5.31 8.45 -48.03 0 5 -1 73 498.403 3

Activity (Go SEA)

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