UCSF

ZINC36272317

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 4.56 11.48 -37.8 3 4 1 48 349.502 4
Hi High (pH 8-9.5) 4.56 9.16 -9.84 2 4 0 47 348.494 4
Mid Mid (pH 6-8) 4.56 12.04 -86.6 4 4 2 49 350.51 4
Mid Mid (pH 6-8) 4.56 9.68 -24.2 3 4 1 48 349.502 4

Activity (Go SEA)

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