UCSF

ZINC27217172

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 26 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) 3.10 8.54 -49.16 2 5 1 57 349.41 7
Hi High (pH 8-9.5) 3.10 7.12 -8.97 1 5 0 53 348.402 7
Lo Low (pH 4.5-6) 3.10 8.98 -101.66 3 5 2 58 350.418 7

Activity (Go SEA)

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