UCSF

ZINC12006214

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.19 9.17 -32.04 2 8 0 106 361.361 4
Mid Mid (pH 6-8) 2.65 8.84 -54.09 1 8 -1 109 360.353 4
Mid Mid (pH 6-8) 2.19 9.97 -14.89 2 8 0 106 361.361 4

Activity (Go SEA)

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