UCSF

ZINC20614351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 30 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) 2.42 5.28 -54.43 2 8 1 74 412.466 5
Mid Mid (pH 6-8) 2.42 2.81 -15.82 1 8 0 73 411.458 5
Mid Mid (pH 6-8) 2.42 4.98 -61.76 2 8 1 74 412.466 5

Activity (Go SEA)

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