UCSF

ZINC36780151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 No

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) -2.69 -5.16 -53.3 6 7 1 115 217.249 6
Hi High (pH 8-9.5) -2.50 -6.44 -54.26 5 7 0 121 216.241 6

Activity (Go SEA)

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