UCSF

ZINC09271697

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 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) 3.76 9.56 -59.66 0 6 -1 83 492.349 6
Mid Mid (pH 6-8) 4.20 9.61 -13.4 1 6 0 80 493.357 5
Mid Mid (pH 6-8) 3.18 -0.42 -14 0 6 0 76 493.357 6
Lo Low (pH 4.5-6) 3.18 -0.31 -45.5 1 6 1 77 494.365 6
Lo Low (pH 4.5-6) 4.20 9.89 -39.13 2 6 1 81 494.365 5

Activity (Go SEA)

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