UCSF

ZINC36875081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.70 5.17 -116.74 4 2 2 32 198.354 2
Hi High (pH 8-9.5) 1.70 3.09 -38.42 3 2 1 31 197.346 2
Hi High (pH 8-9.5) 1.70 5.5 -27.83 3 2 1 30 197.346 2

Activity (Go SEA)

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