UCSF

ZINC25492647

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 11 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) -1.13 -1.35 -36.88 7 6 1 111 156.169 1
Mid Mid (pH 6-8) -1.13 -1.2 -11.4 6 6 0 110 155.161 1

Activity (Go SEA)

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