UCSF

ZINC32189019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 14 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) 3.66 5.99 -2.5 1 1 0 12 189.302 1
Lo Low (pH 4.5-6) 3.66 6.67 -31.28 2 1 1 17 190.31 1

Activity (Go SEA)

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