UCSF

ZINC13961388

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 23 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) 3.77 8.27 -15.57 2 3 0 45 314.335 4
Mid Mid (pH 6-8) 3.83 7.03 -36.26 3 3 1 50 315.343 4

Activity (Go SEA)

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