UCSF

ZINC19884157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 15 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) 3.75 6.14 -4.69 1 2 0 25 204.317 3
Mid Mid (pH 6-8) 3.75 6.57 -29.92 2 2 1 26 205.325 3

Activity (Go SEA)

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