UCSF

ZINC09240493

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) 4.50 10.79 -51.03 0 9 -1 128 492.514 6
Mid Mid (pH 6-8) 4.95 9.62 -17.19 1 9 0 126 493.522 5

Activity (Go SEA)

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