UCSF

ZINC40187535

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.91 11.51 -13.55 1 6 0 65 415.493 7
Lo Low (pH 4.5-6) 4.91 11.97 -32.04 2 6 1 67 416.501 7

Activity (Go SEA)

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