UCSF

ZINC37859208

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.57 2.37 -12.48 1 6 0 79 328.415 5
Mid Mid (pH 6-8) 2.03 0.18 -43.86 0 6 -1 83 327.407 5

Activity (Go SEA)

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