UCSF

ZINC09360880

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 34 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) 5.80 12.95 -52.45 0 5 -1 73 475.496 5
Mid Mid (pH 6-8) 5.22 0.98 -10.94 0 5 0 67 476.504 5
Mid Mid (pH 6-8) 6.25 12.56 -17.47 1 5 0 71 476.504 4

Activity (Go SEA)

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