UCSF

ZINC36125644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 2.91 5.94 -9.66 0 4 0 41 310.463 5
Mid Mid (pH 6-8) 2.91 7.55 -48.84 1 4 1 42 311.471 5

Activity (Go SEA)

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