UCSF

ZINC32200813

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 3.38 6.64 -50.67 2 4 1 44 306.357 8
Hi High (pH 8-9.5) 3.38 5.22 -7.32 1 4 0 40 305.349 8

Activity (Go SEA)

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