UCSF

ZINC44224935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.52 3.21 -19.24 4 10 0 138 394.391 4
Mid Mid (pH 6-8) 0.98 0.71 -54.93 3 10 -1 141 393.383 4

Activity (Go SEA)

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