UCSF

ZINC20567676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.77 10.25 -48.7 1 6 1 56 421.517 5
Hi High (pH 8-9.5) 3.77 7.34 -15.28 0 6 0 55 420.509 5
Lo Low (pH 4.5-6) 3.77 9.67 -50 1 6 1 56 421.517 5

Activity (Go SEA)

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