UCSF

ZINC12008688

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 32 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) 2.95 11.79 -43.06 2 11 0 152 434.412 6
Mid Mid (pH 6-8) 3.41 11.45 -65.48 1 11 -1 155 433.404 6
Mid Mid (pH 6-8) 2.95 12.56 -24.29 2 11 0 152 434.412 6

Activity (Go SEA)

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