UCSF

ZINC06313679

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 31 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) 2.84 8.79 -53.18 0 7 -1 92 423.489 11
Mid Mid (pH 6-8) 3.28 -1.03 -27.99 1 7 0 88 424.497 10
Mid Mid (pH 6-8) 2.25 -0.82 -19.55 0 7 0 85 424.497 11

Activity (Go SEA)

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