UCSF

ZINC12022791

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 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) 3.37 8.3 -49.64 2 7 1 88 476.644 6
Mid Mid (pH 6-8) 3.37 6.68 -17.24 1 7 0 87 475.636 6

Activity (Go SEA)

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