UCSF

ZINC34929908

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 4.72 12.82 -15.4 1 4 0 49 391.559 9
Lo Low (pH 4.5-6) 4.72 13.28 -49.95 2 4 1 50 392.567 9

Activity (Go SEA)

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