UCSF

ZINC12006783

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) 3.10 10.73 -38.55 2 11 0 152 434.412 6
Mid Mid (pH 6-8) 3.56 10.4 -55.26 1 11 -1 155 433.404 6
Mid Mid (pH 6-8) 3.10 12.06 -20.4 2 11 0 152 434.412 6

Activity (Go SEA)

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