UCSF

ZINC20480145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 31 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) 2.04 6.69 -53.9 0 7 -1 86 485.358 7
Mid Mid (pH 6-8) 2.04 9.01 -74.09 1 7 0 87 486.366 7

Activity (Go SEA)

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