UCSF

ZINC33897191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 32 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) -0.16 8.06 -51.22 3 8 0 124 438.48 8
Mid Mid (pH 6-8) -0.16 6.74 -62.28 2 8 -1 119 437.472 8

Activity (Go SEA)

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