UCSF

ZINC34824132

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 2.78 8.46 -46.49 2 3 1 33 256.373 3
Hi High (pH 8-9.5) 2.78 7.17 -6.18 1 3 0 28 255.365 3
Mid Mid (pH 6-8) 2.78 8.89 -94.42 3 3 2 34 257.381 3

Activity (Go SEA)

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