UCSF

ZINC44102798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.96 5.32 -30.88 2 4 1 44 268.377 9
Hi High (pH 8-9.5) 2.96 4.61 -4.8 1 4 0 40 267.369 9

Activity (Go SEA)

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