UCSF

ZINC37984892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 4.86 7.24 -46.7 3 3 1 46 379.384 12
Mid Mid (pH 6-8) 4.86 5.84 -5.13 2 3 0 41 378.376 12

Activity (Go SEA)

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