UCSF

ZINC35895222

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 30 No

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) 4.12 9.53 -22.34 0 5 0 58 447.293 3
Ref Reference (pH 7) 4.12 9.39 -11.79 0 5 0 58 447.293 3
Mid Mid (pH 6-8) 4.12 11.89 -54.97 1 5 1 59 448.301 3

Activity (Go SEA)

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