UCSF

ZINC08871550

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 29 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) 2.41 4.99 -29.07 3 10 0 149 460.244 6
Mid Mid (pH 6-8) 2.86 3.09 -54.52 2 10 -1 152 459.236 6

Activity (Go SEA)

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