UCSF

ZINC00901111

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 21 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) 0.92 4.31 -58.68 2 4 1 51 284.335 0
Mid Mid (pH 6-8) 0.92 2.44 -13.8 1 4 0 50 283.327 0
Mid Mid (pH 6-8) 0.92 2.25 -14.14 1 4 0 50 283.327 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.