UCSF

ZINC31897431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.54 13.54 -53.45 1 6 1 66 394.561 9
Hi High (pH 8-9.5) 3.54 11.26 -16.29 0 6 0 64 393.553 9

Activity (Go SEA)

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