UCSF

ZINC70845473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2011 15 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) 1.09 3.24 -99.86 5 4 2 65 215.341 7
Mid Mid (pH 6-8) 1.09 1.25 -34.92 4 4 1 64 214.333 7

Activity (Go SEA)

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