UCSF

ZINC36124419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 0.54 0.84 -9.54 1 7 0 79 330.454 5
Mid Mid (pH 6-8) 0.54 3.04 -42.12 2 7 1 80 331.462 5

Activity (Go SEA)

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