UCSF

ZINC37430328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 1.48 6.35 -55.88 1 6 -1 90 283.348 8
Lo Low (pH 4.5-6) 1.48 4.37 -18.02 2 6 0 87 284.356 8

Activity (Go SEA)

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