UCSF

ZINC37981206

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 3.14 4.64 -44.07 0 5 -1 64 345.231 4
Mid Mid (pH 6-8) 3.14 4.32 -10.22 1 5 0 62 346.239 4

Activity (Go SEA)

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