UCSF

ZINC32226260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 2.11 5.18 -5.81 1 4 0 37 311.429 6
Lo Low (pH 4.5-6) 2.11 6.53 -49.85 2 4 1 42 312.437 6
Lo Low (pH 4.5-6) 2.11 7.16 -42.53 2 4 1 39 312.437 6
Lo Low (pH 4.5-6) 2.11 7.6 -86.46 3 4 2 40 313.445 6
Lo Low (pH 4.5-6) 2.11 5.61 -36.12 2 4 1 39 312.437 6

Activity (Go SEA)

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