UCSF

ZINC36207860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 3.47 5.84 -15.17 2 7 0 88 457.596 13
Mid Mid (pH 6-8) 3.47 8.16 -56.13 3 7 1 89 458.604 13

Activity (Go SEA)

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