UCSF

ZINC35121257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 16 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) 3.23 6.84 -5.17 1 3 0 38 221.348 5
Mid Mid (pH 6-8) 3.23 7.32 -25.04 2 3 1 39 222.356 5

Activity (Go SEA)

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