UCSF

ZINC49754448

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 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) 1.39 4.18 -34.85 2 4 1 51 204.29 9
Mid Mid (pH 6-8) 1.39 2.07 -7.62 1 4 0 50 203.282 9

Activity (Go SEA)

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