UCSF

ZINC09282548

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 36 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) 3.68 10.83 -39.38 0 9 -1 122 506.56 10
Mid Mid (pH 6-8) 4.13 -0.59 -34.16 1 9 0 118 507.568 9
Mid Mid (pH 6-8) 3.10 -0.32 -26.62 0 9 0 115 507.568 10
Lo Low (pH 4.5-6) 4.13 9.76 -70.62 2 9 1 120 508.576 9
Lo Low (pH 4.5-6) 3.10 -0.21 -60.59 1 9 1 117 508.576 10

Activity (Go SEA)

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