UCSF

ZINC37080790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.73 3.88 -40.46 3 2 1 31 276.223 4
Hi High (pH 8-9.5) 1.73 2.96 -2.12 2 2 0 29 275.215 4
Lo Low (pH 4.5-6) 1.73 5.27 -125.21 4 2 2 32 277.231 4

Activity (Go SEA)

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