UCSF

ZINC31830199

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.34 5.04 -51.98 3 4 1 51 302.442 3
Hi High (pH 8-9.5) 2.34 4.88 -6.78 2 4 0 50 301.434 3
Mid Mid (pH 6-8) 2.34 7.31 -121.58 4 4 2 52 303.45 3

Activity (Go SEA)

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