UCSF

ZINC19799368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 No

Download: MOL2 SDF SMILES Flexibase

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) 1.66 5.39 -8.27 0 4 0 33 310.394 4
Mid Mid (pH 6-8) 1.66 7.74 -43.35 1 4 1 34 311.402 4

Activity (Go SEA)

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