UCSF

ZINC20967588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 19 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) 3.24 6.89 -112.3 4 3 2 42 394.151 5
Hi High (pH 8-9.5) 3.24 5.48 -42.24 3 3 1 38 393.143 5

Activity (Go SEA)

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