UCSF

ZINC23239695

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.57 12.04 -47.53 2 4 1 38 350.486 7
Hi High (pH 8-9.5) 3.57 9.1 -8.91 1 4 0 37 349.478 7

Activity (Go SEA)

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