UCSF

ZINC08740691

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 34 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) 3.64 9.86 -54.23 0 8 -1 109 481.481 7
Mid Mid (pH 6-8) 4.09 9.25 -24.08 1 8 0 106 482.489 6
Mid Mid (pH 6-8) 3.06 10.16 -15.77 0 8 0 103 482.489 7

Activity (Go SEA)

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