UCSF

ZINC26253712

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 34 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) 4.22 8.14 -22.95 2 7 0 97 477.517 8
Mid Mid (pH 6-8) 4.22 8.21 -45.71 1 7 -1 99 476.509 8

Activity (Go SEA)

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