UCSF

ZINC04056987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 22 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) 4.23 8.03 -10.89 2 4 0 44 317.82 6
Mid Mid (pH 6-8) 3.86 6.78 -37.97 3 4 1 49 318.828 7
Lo Low (pH 4.5-6) 4.23 8.05 -31.13 3 4 0 46 318.828 6

Activity (Go SEA)

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