UCSF

ZINC36630528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 Yes

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) 6.61 13.1 -14.28 1 3 0 42 413.329 4
Hi High (pH 8-9.5) 6.67 11.48 -45.36 0 3 -1 48 412.321 4

Activity (Go SEA)

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