UCSF

ZINC29401046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 23 No

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) 0.24 1.22 -49.5 5 7 1 109 343.473 6
Hi High (pH 8-9.5) 0.24 0.06 -19.89 4 7 0 105 342.465 6

Activity (Go SEA)

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