UCSF

ZINC36070478

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 25 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) 2.67 11.58 -62.28 1 5 1 63 353.471 4
Hi High (pH 8-9.5) 2.67 9.22 -14.98 0 5 0 62 352.463 4

Activity (Go SEA)

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