UCSF

ZINC08737835

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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 8.62 -62.22 0 6 -1 73 498.397 7
Mid Mid (pH 6-8) 3.17 -1.24 -44.55 1 6 1 68 500.413 7
Mid Mid (pH 6-8) 3.76 10.95 -72.73 1 6 0 74 499.405 7

Activity (Go SEA)

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