UCSF

ZINC06385314

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 24 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) -0.43 8.36 -113.19 3 6 0 91 333.363 7
Hi High (pH 8-9.5) -0.43 7 -68.08 2 6 -1 86 332.355 7
Mid Mid (pH 6-8) -0.43 6.34 -66.51 4 6 1 88 334.371 7

Activity (Go SEA)

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