UCSF

ZINC32163200

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 5 No

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) 1.51 3.52 -1.5 0 0 0 0 108.231 1
Hi High (pH 8-9.5) 1.51 4.06 -38.57 0 0 -1 0 107.223 1

Activity (Go SEA)

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