UCSF

ZINC32021134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) -1.64 -1.06 -36.76 3 5 1 57 202.278 4
Hi High (pH 8-9.5) -1.64 -3.46 -12.11 2 5 0 56 201.27 4
Mid Mid (pH 6-8) -1.64 0.32 -97.49 4 5 2 62 203.286 4

Activity (Go SEA)

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