UCSF

ZINC36880470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.93 3.95 -54.39 4 5 1 75 279.36 4
Hi High (pH 8-9.5) 1.93 5.01 -87.53 3 5 0 78 278.352 4

Activity (Go SEA)

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