UCSF

ZINC25826480

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 32 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) 2.52 9.93 -43.45 2 6 1 57 435.592 6
Hi High (pH 8-9.5) 2.52 7.76 -13.68 1 6 0 56 434.584 6
Mid Mid (pH 6-8) 2.52 12.25 -105.61 3 6 2 58 436.6 6

Activity (Go SEA)

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