UCSF

ZINC37079830

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) 1.35 5.49 -109.71 4 2 2 32 198.354 3
Hi High (pH 8-9.5) 1.35 5.16 -27.29 3 2 1 30 197.346 3
Hi High (pH 8-9.5) 1.35 3.83 -37.76 3 2 1 31 197.346 3

Activity (Go SEA)

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