UCSF

ZINC19685370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 Yes

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) -0.10 3.3 -36.1 2 4 1 37 212.317 2
Hi High (pH 8-9.5) -0.10 1.1 -8.09 1 4 0 36 211.309 2
Mid Mid (pH 6-8) -0.10 4.67 -97.85 3 4 2 41 213.325 2

Activity (Go SEA)

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