UCSF

ZINC42810356

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) -1.26 -0.32 -20.69 1 7 0 79 305.4 5
Mid Mid (pH 6-8) -1.26 1.21 -61.86 2 7 1 84 306.408 5

Activity (Go SEA)

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