UCSF

ZINC32134016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 16 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) 1.38 4.82 -116.86 4 3 2 41 289.217 6
Hi High (pH 8-9.5) 1.38 2.28 -42.6 3 3 1 40 288.209 6

Activity (Go SEA)

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