UCSF

ZINC44472371

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 14 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 3.87 -32.82 2 3 1 29 203.35 8
Hi High (pH 8-9.5) 1.65 2.33 -1.27 1 3 0 24 202.342 8
Mid Mid (pH 6-8) 1.65 5.45 -27.39 2 3 1 26 203.35 8

Activity (Go SEA)

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