UCSF

ZINC36365404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 3.08 5.89 -10.68 2 5 0 71 373.334 3
Ref Reference (pH 7) 2.90 8.55 -11.31 2 5 0 67 373.334 3
Mid Mid (pH 6-8) 2.90 9.01 -47.81 3 5 1 68 374.342 3

Activity (Go SEA)

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