UCSF

ZINC32210063

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) 0.57 4.14 -56.89 3 6 1 76 309.386 6
Hi High (pH 8-9.5) 0.57 2.57 -17.9 2 6 0 71 308.378 6

Activity (Go SEA)

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