UCSF

ZINC31934578

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 4.26 8.43 -54.26 3 4 1 62 334.509 5
Hi High (pH 8-9.5) 4.72 7.4 -43.51 2 4 0 65 333.501 5

Activity (Go SEA)

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