UCSF

ZINC34960712

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.79 3.75 -5.64 0 3 0 25 260.79 3
Lo Low (pH 4.5-6) 1.79 5.71 -36.99 1 3 1 27 261.798 3

Activity (Go SEA)

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