UCSF

ZINC42462043

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.80 3.06 -5.18 0 4 0 30 257.765 2
Mid Mid (pH 6-8) 1.80 5.14 -32.26 1 4 1 31 258.773 2

Activity (Go SEA)

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