UCSF

ZINC32009986

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 0.61 -0.31 -53.01 5 3 1 60 201.677 4
Hi High (pH 8-9.5) 0.61 -0.7 -5.91 4 3 0 58 200.669 4

Activity (Go SEA)

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