UCSF

ZINC36791631

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) 3.51 6.97 -47.32 2 4 1 54 313.487 8
Hi High (pH 8-9.5) 3.51 5.87 -8.49 1 4 0 49 312.479 8

Activity (Go SEA)

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