UCSF

ZINC32130767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.26 5.24 -50.54 3 4 1 55 286.351 6
Hi High (pH 8-9.5) 2.26 3.74 -8.4 2 4 0 51 285.343 6

Activity (Go SEA)

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