UCSF

ZINC08740637

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) 4.99 10.41 -59.16 0 6 -1 83 461.544 5
Mid Mid (pH 6-8) 5.44 10.44 -19.5 1 6 0 80 462.552 4

Activity (Go SEA)

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