UCSF

ZINC36809767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 3.92 9.11 -125.71 4 2 2 32 357.311 3
Hi High (pH 8-9.5) 3.92 9.01 -29.9 3 2 1 30 356.303 3
Hi High (pH 8-9.5) 3.92 6.57 -46 3 2 1 31 356.303 3

Activity (Go SEA)

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