UCSF

ZINC32014055

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.72 3.67 -46.64 4 2 1 48 222.352 4
Hi High (pH 8-9.5) 2.72 3.35 -4.15 3 2 0 46 221.344 4

Activity (Go SEA)

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