UCSF

ZINC36447957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 11 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) -0.27 -1.21 -33.08 3 3 1 40 157.237 1
Hi High (pH 8-9.5) -0.27 0.77 -103.42 4 3 2 41 158.245 1
Mid Mid (pH 6-8) -0.27 -0.55 -32.18 3 3 1 37 157.237 1

Activity (Go SEA)

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