UCSF

ZINC35018344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.33 6.98 -42.81 2 5 1 50 311.475 8
Mid Mid (pH 6-8) 1.33 8.29 -102.58 3 5 2 54 312.483 8

Activity (Go SEA)

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