UCSF

ZINC36273422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 4.34 10.97 -39.98 3 4 1 48 323.464 6
Hi High (pH 8-9.5) 4.34 9.91 -9.75 2 4 0 47 322.456 6
Mid Mid (pH 6-8) 4.34 11.34 -88.76 4 4 2 49 324.472 6
Mid Mid (pH 6-8) 4.34 9.01 -24.3 3 4 1 48 323.464 6

Activity (Go SEA)

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