UCSF

ZINC36771649

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) -0.52 2.98 -44.68 2 5 1 53 263.365 4
Hi High (pH 8-9.5) -0.52 1.62 -9.16 1 5 0 48 262.357 4
Lo Low (pH 4.5-6) -0.52 3.44 -83.21 3 5 2 54 264.373 4

Activity (Go SEA)

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