UCSF

ZINC12081078

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 19 No

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) 2.23 4.19 -10.36 1 5 0 59 323.563 2
Hi High (pH 8-9.5) 2.42 2.66 -32.74 0 5 -1 65 322.555 2

Activity (Go SEA)

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