UCSF

ZINC05770708

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 22 No

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) 4.69 6.56 -17.79 2 4 0 62 375.247 3
Mid Mid (pH 6-8) 4.69 6.01 -38.78 1 4 -1 64 374.239 3

Activity (Go SEA)

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