UCSF

ZINC34691454

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 2.10 5.59 -11.54 1 6 0 62 432.483 10
Mid Mid (pH 6-8) 2.10 7.92 -46.08 2 6 1 63 433.491 10

Activity (Go SEA)

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