UCSF

ZINC35411284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) 1.34 4.51 -47.4 3 2 1 41 261.292 3
Mid Mid (pH 6-8) 1.34 4.17 -6.21 2 2 0 39 260.284 3

Activity (Go SEA)

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