UCSF

ZINC32676107

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 30 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) 3.60 8.48 -9.93 2 6 0 65 408.546 6
Mid Mid (pH 6-8) 3.60 10.49 -48.06 3 6 1 66 409.554 6

Activity (Go SEA)

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