UCSF

ZINC32113401

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 0.80 6.63 -48.32 0 5 -1 73 263.317 7
Lo Low (pH 4.5-6) 0.80 5.51 -9.63 1 5 0 71 264.325 7
Lo Low (pH 4.5-6) 0.80 7.04 -68.39 1 5 0 75 264.325 7

Activity (Go SEA)

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