UCSF

ZINC37081384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.31 3.78 -43.74 3 4 1 49 195.29 3
Hi High (pH 8-9.5) 0.31 3.37 -5.19 2 4 0 47 194.282 3
Hi High (pH 8-9.5) 0.31 3.51 -24.45 3 4 1 48 195.29 3
Mid Mid (pH 6-8) 0.31 3.91 -96.59 4 4 2 50 196.298 3

Activity (Go SEA)

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