UCSF

ZINC36457517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 16 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) 2.09 6.15 -40.75 3 3 1 54 222.308 6
Mid Mid (pH 6-8) 2.09 5.83 -4.22 2 3 0 52 221.3 6

Activity (Go SEA)

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