UCSF

ZINC36980890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 2.41 6.21 -38.05 2 5 1 61 286.392 6
Mid Mid (pH 6-8) 2.41 5.16 -5.87 1 5 0 57 285.384 6

Activity (Go SEA)

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