UCSF

ZINC42775563

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.45 9.49 -36.27 1 3 1 25 342.301 8
Hi High (pH 8-9.5) 3.45 7.01 -6.28 0 3 0 24 341.293 8
Lo Low (pH 4.5-6) 3.45 11.11 -125.34 2 3 2 26 343.309 8

Activity (Go SEA)

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