UCSF

ZINC36226438

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 1.78 4.73 -23.75 4 3 1 52 192.286 2
Mid Mid (pH 6-8) 1.78 4.41 -4.96 3 3 0 51 191.278 2

Activity (Go SEA)

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