UCSF

ZINC19482906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) -0.41 3.26 -91.72 3 5 2 45 256.394 3
Hi High (pH 8-9.5) -0.41 -0.45 -8.32 1 5 0 39 254.378 3
Mid Mid (pH 6-8) -0.41 3.1 -95.87 3 5 2 45 256.394 3
Mid Mid (pH 6-8) -0.41 1.98 -36.87 2 5 1 40 255.386 3

Activity (Go SEA)

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