UCSF

ZINC39914060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 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) 4.69 7.62 -12.86 2 7 0 88 455.942 8
Mid Mid (pH 6-8) 4.69 8.38 -50.11 1 7 -1 91 454.934 8

Activity (Go SEA)

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