UCSF

ZINC41588501

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.20 5.94 -12.16 0 9 0 83 510.587 8
Mid Mid (pH 6-8) 3.20 8.8 -56.66 1 9 1 84 511.595 8
Mid Mid (pH 6-8) 3.20 8.21 -50.48 1 9 1 84 511.595 8
Lo Low (pH 4.5-6) 3.20 11.07 -130.93 2 9 2 85 512.603 8

Activity (Go SEA)

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