UCSF

ZINC12006996

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 35 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) 2.30 10.39 -36.29 2 13 0 170 480.437 8
Mid Mid (pH 6-8) 2.76 10.06 -58.05 1 13 -1 173 479.429 8
Mid Mid (pH 6-8) 2.30 11.22 -19.51 2 13 0 170 480.437 8

Activity (Go SEA)

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