UCSF

ZINC36125648

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) 3.33 6.7 -9.68 0 4 0 41 324.49 5
Mid Mid (pH 6-8) 3.33 8.23 -48.95 1 4 1 42 325.498 5

Activity (Go SEA)

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