UCSF

ZINC31933275

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 2.32 6.53 -48.04 2 5 1 46 323.42 4
Hi High (pH 8-9.5) 2.32 5.13 -13.04 1 5 0 42 322.412 4
Mid Mid (pH 6-8) 2.32 6.99 -78.56 3 5 2 48 324.428 4

Activity (Go SEA)

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