UCSF

ZINC09437318

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 2.76 9.27 -63.31 0 7 -1 92 430.436 5
Mid Mid (pH 6-8) 3.21 8.72 -21.2 1 7 0 89 431.444 4

Activity (Go SEA)

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