UCSF

ZINC36321931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.91 7.46 -10.01 1 4 0 47 312.344 5
Mid Mid (pH 6-8) 3.91 7.98 -29.57 2 4 1 48 313.352 5

Activity (Go SEA)

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