UCSF

ZINC32228135

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 2.71 8.56 -54.42 2 4 1 48 313.421 7
Hi High (pH 8-9.5) 2.71 7.13 -9.55 1 4 0 43 312.413 7

Activity (Go SEA)

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