UCSF

ZINC35480307

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 24 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) 1.48 7.22 -47.86 1 7 1 73 358.484 6
Mid Mid (pH 6-8) 1.48 4.98 -11.76 0 7 0 72 357.476 6

Activity (Go SEA)

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