UCSF

ZINC34014815

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 29 No

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) -4.11 -2.83 -356.44 2 16 -4 255 478.136 8
Mid Mid (pH 6-8) -4.11 -3.98 -220.28 3 16 -3 253 479.144 8

Activity (Go SEA)

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