UCSF

ZINC36785334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 4.43 11.27 -40.74 1 2 1 28 283.439 4
Hi High (pH 8-9.5) 4.43 9.75 -8.45 0 2 0 27 282.431 4

Activity (Go SEA)

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