UCSF

ZINC37855907

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -0.13 1.7 -96.61 4 4 2 51 206.33 9
Hi High (pH 8-9.5) -0.13 2.25 -41.06 3 4 1 53 205.322 9
Mid Mid (pH 6-8) -0.13 0.21 -33.29 3 4 1 46 205.322 9

Activity (Go SEA)

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