UCSF

ZINC36991905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.21 4.25 -53.66 4 4 1 81 283.351 4
Hi High (pH 8-9.5) 3.21 3.3 -8.59 3 4 0 76 282.343 4

Activity (Go SEA)

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