UCSF

ZINC32236549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 28 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) 3.21 9.32 -24.28 2 7 0 102 383.4 6
Hi High (pH 8-9.5) 3.21 10.42 -73.53 1 7 -1 105 382.392 6

Activity (Go SEA)

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