UCSF

ZINC32074532

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 3.80 9.31 -119.51 4 3 2 41 306.494 7
Hi High (pH 8-9.5) 3.80 9.21 -27.35 3 3 1 40 305.486 7

Activity (Go SEA)

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