UCSF

ZINC27895698

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.30 6.7 -29.04 2 7 0 82 430.508 5
Lo Low (pH 4.5-6) 2.30 8.85 -59.95 3 7 1 83 431.516 5

Activity (Go SEA)

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