UCSF

ZINC34466925

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 23 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) 2.53 6.81 -33.25 3 5 1 60 330.481 3
Hi High (pH 8-9.5) 2.53 6.49 -8.86 2 5 0 58 329.473 3
Mid Mid (pH 6-8) 2.53 8.91 -104.04 4 5 2 61 331.489 3
Mid Mid (pH 6-8) 2.53 8.59 -48.33 3 5 1 59 330.481 3
Lo Low (pH 4.5-6) 2.53 9.34 -156.76 5 5 3 62 332.497 3
Lo Low (pH 4.5-6) 2.53 9.02 -91.46 4 5 2 61 331.489 3

Activity (Go SEA)

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