UCSF

ZINC32101471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 2.57 3.63 -48.52 3 3 1 46 244.742 5
Hi High (pH 8-9.5) 2.57 2.12 -6.51 2 3 0 41 243.734 5

Activity (Go SEA)

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