UCSF

ZINC31299863

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 28 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) 1.84 9.15 -24.29 1 7 0 86 382.464 5
Hi High (pH 8-9.5) 2.30 6.73 -55.23 0 7 -1 89 381.456 5

Activity (Go SEA)

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