UCSF

ZINC36190275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 1.12 7.08 -46.44 1 5 1 43 251.354 3
Mid Mid (pH 6-8) 1.12 4.91 -6.81 0 5 0 41 250.346 3

Activity (Go SEA)

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