UCSF

ZINC21511761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 4.80 5.65 -36.34 1 3 -1 44 333.141 5
Mid Mid (pH 6-8) 4.80 4.99 -7.55 2 3 0 41 334.149 5

Activity (Go SEA)

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