UCSF

ZINC16311862

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 26 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) 4.00 7.2 -11.48 0 5 0 47 349.434 3
Ref Reference (pH 7) 4.00 6.92 -13.02 0 5 0 47 349.434 3
Lo Low (pH 4.5-6) 4.00 9.52 -42.96 1 5 1 48 350.442 3
Lo Low (pH 4.5-6) 4.00 9.23 -44.46 1 5 1 48 350.442 3

Activity (Go SEA)

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