UCSF

ZINC19483590

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 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) -0.34 2.48 -34.8 2 4 1 37 200.306 3
Hi High (pH 8-9.5) -0.34 0.23 -7.82 1 4 0 36 199.298 3
Mid Mid (pH 6-8) -0.34 3.87 -96.08 3 4 2 41 201.314 3

Activity (Go SEA)

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