UCSF

ZINC53435661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 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) 2.23 6.65 -85.56 3 3 2 24 257.466 8
Hi High (pH 8-9.5) 2.23 5.29 -32.02 2 3 1 20 256.458 8
Lo Low (pH 4.5-6) 2.23 9.11 -195.04 4 3 3 25 258.474 8

Activity (Go SEA)

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