UCSF

ZINC33838895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 25 No

CAS Number: 12772-57-5

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) 2.70 4.47 -21.06 2 6 0 96 364.781 0
Hi High (pH 8-9.5) 2.70 6.18 -137.39 0 6 -2 102 362.765 0
Mid Mid (pH 6-8) 2.70 5.15 -52.78 1 6 -1 99 363.773 0
Mid Mid (pH 6-8) 2.70 5.5 -65.17 1 6 -1 99 363.773 0

Activity (Go SEA)

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