UCSF

ZINC35663664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) 1.54 4.97 -80.54 5 5 2 82 245.33 4
Mid Mid (pH 6-8) 1.54 4.83 -37.42 4 5 1 81 244.322 4

Activity (Go SEA)

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