UCSF

ZINC23066310

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.21 6.45 -102.93 4 3 2 35 261.413 3
Hi High (pH 8-9.5) 0.21 3.85 -2.58 2 3 0 32 259.397 3
Hi High (pH 8-9.5) 0.21 4.26 -41.19 3 3 1 34 260.405 3
Mid Mid (pH 6-8) 0.21 6.12 -35.76 3 3 1 34 260.405 3
Mid Mid (pH 6-8) 0.21 6.19 -129.24 4 3 2 35 261.413 3

Activity (Go SEA)

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