UCSF

ZINC49718474

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 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) 3.10 6.11 -10.09 0 4 0 41 348.443 4
Mid Mid (pH 6-8) 3.10 8.34 -52.93 1 4 1 42 349.451 4

Activity (Go SEA)

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