UCSF

ZINC20727714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 21 No

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) 1.01 5.11 -47.86 2 7 1 83 293.347 5
Mid Mid (pH 6-8) 1.01 4.98 -53.4 2 7 1 83 293.347 5
Mid Mid (pH 6-8) 1.01 2.64 -12.95 1 7 0 81 292.339 5

Activity (Go SEA)

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