UCSF

ZINC34920578

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 0.73 5.24 -20.37 0 10 0 96 510.591 6
Mid Mid (pH 6-8) 0.73 7.46 -65.63 1 10 1 97 511.599 6

Activity (Go SEA)

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