UCSF

ZINC18150732

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 28 Yes

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) 2.72 9.67 -14.28 0 6 0 53 381.476 6
Lo Low (pH 4.5-6) 2.72 10.43 -27.39 1 6 0 54 382.484 6

Activity (Go SEA)

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