UCSF

ZINC18208839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 29 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) 3.51 8.58 -61.47 0 6 -1 79 392.431 7
Mid Mid (pH 6-8) 3.51 8.13 -10.47 1 6 0 76 393.439 7
Mid Mid (pH 6-8) 2.93 8.81 -17.43 0 6 0 73 393.439 7

Activity (Go SEA)

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