UCSF

ZINC39847740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 3.92 12.11 -79.7 1 8 0 93 518.61 11
Lo Low (pH 4.5-6) 3.92 11.36 -55.67 2 8 1 90 519.618 11

Activity (Go SEA)

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