UCSF

ZINC32252004

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 7 No

Other Names:

MFCD18253503

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) -0.16 0.08 -34.01 2 2 1 27 102.157 3
Hi High (pH 8-9.5) -0.16 -3.34 -4.56 1 2 0 23 101.149 3

Activity (Go SEA)

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