UCSF

ZINC36790246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.42 6.48 -119.31 4 3 2 41 306.372 8
Hi High (pH 8-9.5) 3.42 6.12 -33 3 3 1 40 305.364 8
Mid Mid (pH 6-8) 3.42 4.75 -41.77 3 3 1 40 305.364 8

Activity (Go SEA)

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