UCSF

ZINC16995100

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 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) -0.10 1.96 -49.14 2 7 -1 103 291.283 4
Mid Mid (pH 6-8) 0.75 0.19 -14.13 3 7 0 105 292.291 4

Activity (Go SEA)

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