UCSF

ZINC34865071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 1.65 11.5 -95.45 2 4 2 29 347.478 4
Hi High (pH 8-9.5) 1.65 7.06 -9 0 4 0 27 345.462 4
Mid Mid (pH 6-8) 1.65 9.25 -42.44 1 4 1 28 346.47 4
Mid Mid (pH 6-8) 1.65 9.32 -50.88 1 4 1 28 346.47 4

Activity (Go SEA)

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