UCSF

ZINC08964837

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 38 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) 2.00 3.21 -23.38 6 13 0 182 521.534 9
Lo Low (pH 4.5-6) 2.00 3.16 -41.62 7 13 1 184 522.542 9
Lo Low (pH 4.5-6) 2.00 -0.15 -43.51 7 13 1 184 522.542 9

Activity (Go SEA)

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