UCSF

ZINC54403308

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 18 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) 4.73 6.63 -4.88 3 3 0 55 308.223 3
Mid Mid (pH 6-8) 4.73 6.72 -30.01 4 3 1 56 309.231 3

Activity (Go SEA)

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