UCSF

ZINC09425140

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 36 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) 3.83 9.85 -60.26 0 8 -1 97 494.564 11
Mid Mid (pH 6-8) 4.27 8.3 -28.08 1 8 0 95 495.572 10

Activity (Go SEA)

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