UCSF

ZINC13161800

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 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) 3.25 9.1 -57.81 0 5 -1 70 382.411 7
Lo Low (pH 4.5-6) 3.25 8.27 -14.73 1 5 0 67 383.419 7

Activity (Go SEA)

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