UCSF

ZINC36882753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 11 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) 0.79 4.15 -111.18 4 2 2 32 158.289 2
Mid Mid (pH 6-8) 0.79 2.35 -36.82 3 2 1 31 157.281 2
Mid Mid (pH 6-8) 0.79 3.75 -26.16 3 2 1 30 157.281 2

Activity (Go SEA)

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