UCSF

ZINC36717701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 32 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) 6.17 17.41 -61.82 1 4 1 38 491.146 12
Hi High (pH 8-9.5) 6.17 15.31 -16.29 0 4 0 36 490.138 12

Activity (Go SEA)

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