UCSF

ZINC08606580

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 35 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) 3.35 6.36 -20.98 3 8 0 108 471.513 8
Mid Mid (pH 6-8) 3.35 7.12 -60.98 2 8 -1 111 470.505 8

Activity (Go SEA)

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