UCSF

ZINC43981498

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 1.72 3.65 -32.42 2 5 1 48 301.451 7
Hi High (pH 8-9.5) 1.72 2.08 -3.62 1 5 0 43 300.443 7
Hi High (pH 8-9.5) 1.72 6.16 -26.83 2 5 1 44 301.451 7

Activity (Go SEA)

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