UCSF

ZINC34957685

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 1.91 4.4 -46.92 3 3 1 45 222.699 2
Mid Mid (pH 6-8) 1.91 4.08 -6.5 2 3 0 44 221.691 2

Activity (Go SEA)

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