UCSF

ZINC39315248

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 25 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) 5.88 12.18 -36.48 1 3 1 26 359.49 6
Hi High (pH 8-9.5) 5.88 10.01 -7.19 0 3 0 25 358.482 6

Activity (Go SEA)

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