UCSF

ZINC60210715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 31 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) 4.38 11.86 -13.58 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.54 12.23 -15.72 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.96 11.21 -53.87 0 6 -1 88 436.509 6
Mid Mid (pH 6-8) 4.56 11.45 -12.34 0 6 0 82 437.517 6

Activity (Go SEA)

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