UCSF

ZINC32107241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 13 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) 2.09 3.04 -12.66 1 3 0 36 194.259 1
Hi High (pH 8-9.5) 2.09 3.83 -50.75 0 3 -1 39 193.251 1

Activity (Go SEA)

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