UCSF

ZINC39847713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.07 12.68 -80.81 1 8 0 100 502.567 10
Lo Low (pH 4.5-6) 4.07 11.92 -58.17 2 8 1 98 503.575 10

Activity (Go SEA)

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