UCSF

ZINC09361153

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) 4.52 12.51 -66.58 0 7 -1 96 453.474 6
Mid Mid (pH 6-8) 4.97 11.58 -23.85 1 7 0 93 454.482 5

Activity (Go SEA)

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