UCSF

ZINC43259063

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.89 7.91 -48.39 3 2 1 31 366.348 4
Hi High (pH 8-9.5) 3.89 7.2 -2.82 2 2 0 29 365.34 4
Lo Low (pH 4.5-6) 3.89 9.67 -127.27 4 2 2 32 367.356 4

Activity (Go SEA)

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