UCSF

ZINC31958923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.95 5.5 -62.81 4 5 1 74 301.757 3
Mid Mid (pH 6-8) 1.95 5.11 -17.35 3 5 0 72 300.749 3
Lo Low (pH 4.5-6) 1.95 5.9 -98.65 5 5 2 75 302.765 3

Activity (Go SEA)

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