UCSF

ZINC70513345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.76 4.32 -84.13 4 4 2 45 299.503 9
Mid Mid (pH 6-8) 1.76 6.94 -156.31 5 4 3 46 300.511 9
Mid Mid (pH 6-8) 1.76 4.71 -72.48 4 4 2 45 299.503 9

Activity (Go SEA)

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