UCSF

ZINC46437830

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 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) 1.09 5.5 -11.65 1 6 0 75 289.335 7
Mid Mid (pH 6-8) 1.09 7.8 -52.75 2 6 1 76 290.343 7
Mid Mid (pH 6-8) 1.55 5.01 -48.33 1 6 0 80 289.335 7

Activity (Go SEA)

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