UCSF

ZINC27746445

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 23 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) -4.08 0.29 -78.61 5 9 0 146 328.369 6
Hi High (pH 8-9.5) -4.08 -0.03 -55.71 4 9 -1 145 327.361 6

Activity (Go SEA)

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