UCSF

ZINC36136475

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 3.04 6.85 -50.6 3 3 1 48 273.4 2
Mid Mid (pH 6-8) 3.04 7.05 -7.74 2 3 0 46 272.392 2

Activity (Go SEA)

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