UCSF

ZINC20573752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 32 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) 4.04 11.04 -49.3 1 6 1 56 435.544 6
Hi High (pH 8-9.5) 4.04 8.12 -15.36 0 6 0 55 434.536 6
Mid Mid (pH 6-8) 4.04 10.33 -49.31 1 6 1 56 435.544 6
Lo Low (pH 4.5-6) 4.04 13.17 -118.82 2 6 2 58 436.552 6

Activity (Go SEA)

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