UCSF

ZINC44722901

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) 1.10 3.33 -36.89 3 4 1 46 226.344 6
Hi High (pH 8-9.5) 1.10 0.99 -7.16 2 4 0 44 225.336 6
Lo Low (pH 4.5-6) 1.10 4.53 -109.91 4 4 2 50 227.352 6

Activity (Go SEA)

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