UCSF

ZINC44687591

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.24 8.71 -33.62 2 2 1 16 322.27 3
Hi High (pH 8-9.5) 3.24 6.37 -1.78 1 2 0 15 321.262 3
Lo Low (pH 4.5-6) 3.24 7.36 -42.67 2 2 1 20 322.27 3

Activity (Go SEA)

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