UCSF

ZINC23018161

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 28 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) 2.88 7.03 -12.67 1 8 0 97 385.42 7
Lo Low (pH 4.5-6) 2.88 9.39 -50.27 2 8 1 98 386.428 7

Activity (Go SEA)

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