UCSF

ZINC32753271

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 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) 3.46 5.45 -43.86 2 4 1 56 264.324 5
Hi High (pH 8-9.5) 3.46 4.21 -5.07 1 4 0 51 263.316 5

Activity (Go SEA)

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