UCSF

ZINC36642239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 4.22 9.63 -51.05 1 7 1 73 436.561 8
Hi High (pH 8-9.5) 4.22 7.24 -12.01 0 7 0 71 435.553 8

Activity (Go SEA)

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