UCSF

ZINC14191601

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 18 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) 2.29 8.34 -42.2 1 3 1 22 268.743 4
Mid Mid (pH 6-8) 2.29 6.03 -6.84 0 3 0 21 267.735 4

Activity (Go SEA)

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