UCSF

ZINC70513172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.42 8.03 -111.6 4 3 2 41 290.451 7
Hi High (pH 8-9.5) 2.42 5.14 -3.54 2 3 0 35 288.435 7
Mid Mid (pH 6-8) 2.42 6.14 -32.09 3 3 1 40 289.443 7
Mid Mid (pH 6-8) 2.42 6.82 -36.21 3 3 1 37 289.443 7

Activity (Go SEA)

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