UCSF

ZINC34947347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) 2.28 3.97 -10.04 1 5 0 72 335.303 7
Mid Mid (pH 6-8) 2.28 4.71 -43.82 0 5 -1 75 334.295 7

Activity (Go SEA)

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