UCSF

ZINC20841786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 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) 1.43 5.1 -18.91 3 7 0 99 312.424 5
Hi High (pH 8-9.5) 1.62 4.02 -45.9 2 7 -1 105 311.416 5

Activity (Go SEA)

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