UCSF

ZINC31932980

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 4.20 12.44 -44.59 1 3 1 22 302.401 3
Mid Mid (pH 6-8) 4.20 9.89 -10.87 0 3 0 21 301.393 3
Lo Low (pH 4.5-6) 4.20 12.86 -94.42 2 3 2 23 303.409 3

Activity (Go SEA)

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