UCSF

ZINC32220362

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.57 8.39 -5.81 0 3 0 31 203.241 3
Lo Low (pH 4.5-6) -1.18 7.95 -28.19 0 3 1 30 204.249 3

Activity (Go SEA)

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