UCSF

ZINC45697571

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) -0.45 1.18 -97.4 4 5 2 54 261.41 9
Hi High (pH 8-9.5) -0.45 -0.23 -36.17 3 5 1 49 260.402 9
Mid Mid (pH 6-8) -0.45 3.49 -172.32 5 5 3 55 262.418 9

Activity (Go SEA)

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