UCSF

ZINC36779714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 1.59 6.46 -109.75 4 2 2 32 224.323 4
Mid Mid (pH 6-8) 1.59 6.06 -39.13 3 2 1 30 223.315 4
Mid Mid (pH 6-8) 1.59 3.94 -45.52 3 2 1 31 223.315 4

Activity (Go SEA)

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