UCSF

ZINC05045089

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 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) 3.58 9.23 -56.74 0 6 -1 79 416.453 7
Mid Mid (pH 6-8) 4.02 8.13 -30.27 1 6 0 76 417.461 6
Mid Mid (pH 6-8) 3.00 9.09 -14.94 0 6 0 73 417.461 7

Activity (Go SEA)

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