UCSF

ZINC36874098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.91 5.16 -38.53 3 4 1 55 244.318 3
Hi High (pH 8-9.5) 1.91 3.51 -7.9 2 4 0 50 243.31 3
Lo Low (pH 4.5-6) 1.91 5.59 -110.19 4 4 2 56 245.326 3

Activity (Go SEA)

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