UCSF

ZINC32909584

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 21 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) 2.58 7.87 -47.53 1 4 1 34 299.341 4
Mid Mid (pH 6-8) 2.58 5.64 -11.53 0 4 0 33 298.333 4

Activity (Go SEA)

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