UCSF

ZINC63152985

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 13 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) 1.23 3.12 -39.23 2 2 1 20 197.327 3
Hi High (pH 8-9.5) 1.23 1.85 -2.06 1 2 0 15 196.319 3
Lo Low (pH 4.5-6) 1.23 4.2 -33.67 2 2 1 16 197.327 3
Lo Low (pH 4.5-6) 1.23 5.46 -110.01 3 2 2 21 198.335 3

Activity (Go SEA)

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