UCSF

ZINC32008897

Substance Information

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

Other Names:

MFCD11935404

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) -0.51 2.63 -44.86 3 4 1 61 195.242 4
Hi High (pH 8-9.5) -0.51 2.24 -9.26 2 4 0 59 194.234 4

Activity (Go SEA)

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