UCSF

ZINC39752967

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 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) 4.04 11.43 -24.5 2 8 0 102 496.593 9
Hi High (pH 8-9.5) 4.22 10.02 -59.71 1 8 -1 108 495.585 9

Activity (Go SEA)

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