UCSF

ZINC35815525

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 2.30 7.47 -22.32 2 8 0 101 446.573 11
Hi High (pH 8-9.5) 2.11 6.34 -55.89 1 8 -1 107 445.565 11

Activity (Go SEA)

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