UCSF

ZINC37084084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.40 4.33 -43.88 3 2 1 31 239.408 4
Hi High (pH 8-9.5) 2.40 3.52 -2.13 2 2 0 29 238.4 4
Lo Low (pH 4.5-6) 2.40 6.14 -121.68 4 2 2 32 240.416 4

Activity (Go SEA)

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