UCSF

ZINC32006133

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 12 Yes

Other Names:

MFCD11934487

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) 0.79 4.74 -35.54 3 2 1 30 163.244 0
Hi High (pH 8-9.5) 0.79 2.28 -4.58 2 2 0 29 162.236 0

Activity (Go SEA)

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