UCSF

ZINC30863672

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 26 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) 0.89 3.2 -16.65 1 7 0 79 381.498 7
Mid Mid (pH 6-8) 0.89 5.54 -51.74 2 7 1 80 382.506 7

Activity (Go SEA)

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