UCSF

ZINC59348132

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 12 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 3 -2.03 0 2 0 12 171.284 1
Mid Mid (pH 6-8) 2.10 5.13 -29.54 1 2 1 14 172.292 1

Activity (Go SEA)

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