UCSF

ZINC32008901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 Yes

Other Names:

MFCD11935406

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) 0.72 0.95 -53.45 4 4 1 66 195.242 3
Hi High (pH 8-9.5) 0.72 0.55 -12.17 3 4 0 64 194.234 3

Activity (Go SEA)

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