UCSF

ZINC32869218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 31 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) 3.21 9.43 -12.7 1 6 0 59 416.525 6
Mid Mid (pH 6-8) 3.21 12.03 -43.9 2 6 1 61 417.533 6

Activity (Go SEA)

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