UCSF

ZINC32250152

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.00 6.4 -28.11 1 2 1 8 195.33 0
Mid Mid (pH 6-8) 2.00 8.02 -94.37 2 2 2 9 196.338 0
Mid Mid (pH 6-8) 2.00 6.19 -32.54 1 2 1 8 195.33 0

Activity (Go SEA)

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