UCSF

ZINC32335820

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2009 21 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) 3.03 8.41 -10.54 1 4 0 45 283.375 4
Lo Low (pH 4.5-6) 3.03 8.79 -42.2 2 4 1 46 284.383 4

Activity (Go SEA)

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