UCSF

ZINC09120686

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 4.24 11.9 -19.83 3 6 0 90 442.544 7
Mid Mid (pH 6-8) 4.24 12.32 -45.24 4 6 1 91 443.552 7

Activity (Go SEA)

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