UCSF

ZINC21662904

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 4.41 10.78 -66.43 3 6 1 76 445.587 7
Hi High (pH 8-9.5) 4.41 8.42 -22.97 2 6 0 74 444.579 7

Activity (Go SEA)

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