UCSF

ZINC09009187

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 37 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) 3.37 9.47 -52.47 0 10 -1 128 508.551 10
Mid Mid (pH 6-8) 2.78 12.06 -58.55 1 10 1 123 510.567 10
Mid Mid (pH 6-8) 3.81 11.11 -50.77 2 10 1 126 510.567 9
Mid Mid (pH 6-8) 3.37 11.81 -71.17 1 10 0 129 509.559 10

Activity (Go SEA)

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