UCSF

ZINC36001563

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2009 36 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) 4.49 8.28 -13.56 2 10 0 103 501.628 8
Mid Mid (pH 6-8) 4.49 9.95 -52.45 3 10 1 105 502.636 8

Activity (Go SEA)

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