UCSF

ZINC09271580

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 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) 2.64 7.96 -59.64 0 6 -1 73 423.464 7
Mid Mid (pH 6-8) 2.06 0.34 -47.87 1 6 1 68 425.48 7
Mid Mid (pH 6-8) 3.09 10.17 -47.16 2 6 1 71 425.48 6
Mid Mid (pH 6-8) 2.64 10.29 -75.69 1 6 0 74 424.472 7

Activity (Go SEA)

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