UCSF

ZINC36171028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.61 7.86 -36.66 1 4 1 41 288.415 6
Hi High (pH 8-9.5) 2.61 5.62 -6.19 0 4 0 40 287.407 6

Activity (Go SEA)

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