UCSF

ZINC24976930

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 30 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) 4.40 6.47 -55.21 2 7 -1 106 484.355 5
Mid Mid (pH 6-8) 4.40 6.4 -21.2 3 7 0 104 485.363 5

Activity (Go SEA)

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