UCSF

ZINC37476874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 0.48 4.61 -42.22 3 4 1 58 215.28 4
Hi High (pH 8-9.5) 0.48 4.15 -31.99 2 4 0 56 214.272 4
Hi High (pH 8-9.5) 0.48 3.27 -9.84 2 4 0 54 214.272 4

Activity (Go SEA)

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