UCSF

ZINC04289664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 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) 4.87 8.92 -19.13 1 6 0 85 398.465 6
Hi High (pH 8-9.5) 5.32 7.7 -46.8 0 6 -1 88 397.457 6
Mid Mid (pH 6-8) 4.87 9.41 -13.94 1 6 0 85 398.465 6

Activity (Go SEA)

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