UCSF

ZINC36720386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 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) 3.24 5.16 -7.66 3 3 0 51 235.29 2
Mid Mid (pH 6-8) 3.24 5.58 -31.83 4 3 1 52 236.298 2

Activity (Go SEA)

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