UCSF

ZINC70504160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 19 Yes

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) 2.89 7.23 -42.52 3 2 1 31 259.417 7
Mid Mid (pH 6-8) 2.89 9.07 -116.31 4 2 2 32 260.425 7

Activity (Go SEA)

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