UCSF

ZINC13712932

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

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) 6.71 13.45 -8.65 0 4 0 38 488.429 5
Mid Mid (pH 6-8) 6.71 15.48 -47.17 1 4 1 39 489.437 5
Mid Mid (pH 6-8) 6.71 15.75 -46.02 1 4 1 39 489.437 5

Activity (Go SEA)

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