UCSF

ZINC19805692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 18 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) 3.03 6.36 -49.35 4 3 1 52 264.418 3
Mid Mid (pH 6-8) 3.03 5.89 -14.8 3 3 0 51 263.41 3

Activity (Go SEA)

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