UCSF

ZINC09358898

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) 4.70 10.87 -41.83 0 6 -1 79 501.397 9
Mid Mid (pH 6-8) 5.15 9.48 -23.62 1 6 0 76 502.405 8
Mid Mid (pH 6-8) 4.12 10.46 -18.47 0 6 0 73 502.405 9

Activity (Go SEA)

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