UCSF

ZINC32005066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 2.79 6.22 -33.78 1 4 0 58 264.712 3
Hi High (pH 8-9.5) 2.79 5.88 -56.17 0 4 -1 56 263.704 3

Activity (Go SEA)

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