UCSF

ZINC36787909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.45 7.64 -36.54 2 4 1 38 267.441 6
Hi High (pH 8-9.5) 2.45 6.57 -24.32 2 4 1 34 267.441 6
Hi High (pH 8-9.5) 2.45 7.31 -4.49 1 4 0 33 266.433 6
Mid Mid (pH 6-8) 2.45 8.07 -89.67 3 4 2 39 268.449 6

Activity (Go SEA)

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