UCSF

ZINC34007906

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 24 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) 2.80 9.25 -49.01 3 5 1 59 344.508 4
Hi High (pH 8-9.5) 2.80 7.01 -9.58 2 5 0 58 343.5 4
Mid Mid (pH 6-8) 2.80 7.33 -33.43 3 5 1 60 344.508 4
Lo Low (pH 4.5-6) 2.80 9.99 -149.96 5 5 3 62 346.524 4
Lo Low (pH 4.5-6) 2.80 9.68 -86.32 4 5 2 61 345.516 4

Activity (Go SEA)

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