UCSF

ZINC41584340

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

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) 3.90 7.41 -11.91 1 8 0 86 494.588 11
Hi High (pH 8-9.5) 3.90 8.18 -53.21 0 8 -1 89 493.58 11
Mid Mid (pH 6-8) 3.90 10.45 -35.85 1 8 0 90 494.588 11
Mid Mid (pH 6-8) 3.90 9.68 -39.04 2 8 1 88 495.596 11

Activity (Go SEA)

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