UCSF

ZINC09458824

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 4.12 10.9 -57.07 0 8 -1 97 494.564 12
Mid Mid (pH 6-8) 4.56 9.03 -27.01 1 8 0 95 495.572 11

Activity (Go SEA)

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