UCSF

ZINC36158717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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) 3.94 9.72 -52.4 3 6 1 80 436.642 11
Hi High (pH 8-9.5) 4.40 7.18 -42.52 2 6 0 83 435.634 11
Hi High (pH 8-9.5) 3.94 7.4 -14.52 2 6 0 78 435.634 11

Activity (Go SEA)

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