UCSF

ZINC32210058

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) 0.16 2.63 -49.56 3 6 1 76 309.386 5
Hi High (pH 8-9.5) 0.16 1.06 -13.36 2 6 0 71 308.378 5

Activity (Go SEA)

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