UCSF

ZINC08970143

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 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 7.86 -49.35 0 7 -1 79 451.506 2
Mid Mid (pH 6-8) 3.89 10.25 -9.86 1 7 0 73 452.514 2

Activity (Go SEA)

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