UCSF

ZINC13756232

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 21 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) -0.26 5.62 -66.93 2 7 -1 110 292.363 5
Mid Mid (pH 6-8) -0.26 4.67 -44.33 3 7 0 111 293.371 5

Activity (Go SEA)

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