UCSF

ZINC08972974

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.13 5.44 -9.88 2 5 0 67 324.38 5
Hi High (pH 8-9.5) 4.13 6.28 -46.03 1 5 -1 70 323.372 5
Mid Mid (pH 6-8) 4.13 5.62 -8.2 2 5 0 67 324.38 5
Mid Mid (pH 6-8) 4.14 6.22 -57.89 1 5 -1 70 323.372 5

Activity (Go SEA)

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