UCSF

ZINC09243965

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 3.58 8.12 -62.87 0 8 -1 97 468.526 11
Mid Mid (pH 6-8) 4.03 8.51 -17.41 1 8 0 95 469.534 10

Activity (Go SEA)

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