UCSF

ZINC32107913

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 1.66 3.34 -45.72 3 4 1 55 254.35 9
Hi High (pH 8-9.5) 1.66 1.86 -8.49 2 4 0 51 253.342 9

Activity (Go SEA)

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