UCSF

ZINC35475375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 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) 3.15 7.11 -12.17 1 6 0 60 401.894 7
Mid Mid (pH 6-8) 3.15 9.38 -53.77 2 6 1 61 402.902 7

Activity (Go SEA)

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