UCSF

ZINC36096497

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 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) 3.66 4.97 -16.1 1 6 0 84 394.518 5
Mid Mid (pH 6-8) 3.66 5.09 -56.24 0 6 -1 86 393.51 5

Activity (Go SEA)

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