UCSF

ZINC45690606

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 3.86 10.3 -34.77 2 2 1 20 263.449 9
Mid Mid (pH 6-8) 3.86 10.73 -113.98 3 2 2 21 264.457 9
Mid Mid (pH 6-8) 3.86 9.71 -34.58 2 2 1 16 263.449 9

Activity (Go SEA)

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