UCSF

ZINC33753656

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -1.50 -4.55 -146.78 2 13 -2 207 347.18 5
Hi High (pH 8-9.5) -1.04 -7.24 -215.35 1 13 -3 210 346.172 5
Mid Mid (pH 6-8) -1.50 -5.7 -54.79 3 13 -1 204 348.188 5

Activity (Go SEA)

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