UCSF

ZINC34948630

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 27 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) 3.61 10.77 -34.61 3 6 1 76 374.505 8
Hi High (pH 8-9.5) 3.61 10.76 -7.55 2 6 0 75 373.497 8

Activity (Go SEA)

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