UCSF

ZINC06308923

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 29 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) 1.55 6.33 -41.65 0 7 -1 92 399.398 8
Mid Mid (pH 6-8) 1.99 4.76 -31.62 1 7 0 89 400.406 7
Mid Mid (pH 6-8) 0.96 5.74 -27.81 0 7 0 86 400.406 8
Lo Low (pH 4.5-6) 1.99 5.05 -68.35 2 7 1 90 401.414 7
Lo Low (pH 4.5-6) 0.96 6.03 -61.67 1 7 1 87 401.414 8

Activity (Go SEA)

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