UCSF

ZINC22789662

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 34 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) 2.90 10.43 -53.06 3 8 1 84 459.574 8
Hi High (pH 8-9.5) 2.90 8.2 -22.79 2 8 0 82 458.566 8
Lo Low (pH 4.5-6) 2.90 10.42 -56.99 3 8 1 84 459.574 8

Activity (Go SEA)

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