UCSF

ZINC32266248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 19 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) 2.99 7.57 -40.92 1 3 1 23 258.341 0
Hi High (pH 8-9.5) 2.99 5.12 -4.38 0 3 0 22 257.333 0

Activity (Go SEA)

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