UCSF

ZINC09373779

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 37 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) 4.29 11.26 -60.14 0 9 -1 118 521.571 9
Mid Mid (pH 6-8) 4.73 10.73 -20.63 1 9 0 115 522.579 8
Mid Mid (pH 6-8) 3.71 0.86 -21.22 0 9 0 112 522.579 9

Activity (Go SEA)

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