UCSF

ZINC36737607

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 3.65 3.94 -7.76 4 4 0 75 297.141 2
Hi High (pH 8-9.5) 3.65 4.95 -46.64 3 4 -1 78 296.133 2

Activity (Go SEA)

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