UCSF

ZINC21581400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 30 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) 4.50 7.68 -23.95 2 7 0 101 460.606 8
Mid Mid (pH 6-8) 4.50 8.11 -62.22 1 7 -1 103 459.598 8

Activity (Go SEA)

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