UCSF

ZINC36393115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2009 24 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) 3.02 6.53 -41.22 3 4 1 57 339.337 7
Hi High (pH 8-9.5) 3.02 4.65 -7.21 2 4 0 56 338.329 7

Activity (Go SEA)

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