UCSF

ZINC20968544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 1.76 4.62 -102.31 4 4 2 46 279.428 8
Hi High (pH 8-9.5) 1.76 3.21 -45.07 3 4 1 41 278.42 8

Activity (Go SEA)

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