UCSF

ZINC33758410

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 29 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) 4.47 11.36 -51.19 2 5 1 50 431.651 6
Hi High (pH 8-9.5) 4.47 9.29 -10.79 1 5 0 48 430.643 6

Activity (Go SEA)

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